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Chemical ID: 5175078

Chemical ID:

5175078

Name [?]:

N-[4-chloro-2-(diethylcarbamoyl)phenyl]furan-2-carboxamide

SMILES [?]:

CCN(CC)C(=O)c1cc(ccc1NC(=O)c2ccco2)Cl

InChi [?]:

InChI=1/C16H17ClN2O3/c1-3-19(4-2)16(21)12-10-11(17)7-8-13(12)18-15(20)14-6-5-9-22-14/h5-10H,3-4H2,1-2H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,19,18,11,12,20,9,10,8,13,17,15,6,22,14,3,16,7,21/E:(1,2)(3,4)/rA:22nCCNCCCOCCCCCCNCOCCCCOCl/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;d17;s18;d19;s17s20;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₇ClN₂O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1753
Area:	521.63
Solvation:	-2.86545
Coulombic:	-47.742

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	320.771
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.14
LogP (Chemaxon):	3.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value