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Chemical ID: 7269038

Chemical ID:

7269038

Name [?]:

N-[(2-chlorophenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]-acetamide

SMILES [?]:

c1ccc(c(c1)CNC(=O)COc2ccc(cc2)CO)Cl

InChi [?]:

InChI=1/C16H16ClNO3/c17-15-4-2-1-3-13(15)9-18-16(20)11-21-14-7-5-12(10-19)6-8-14/h1-8,19H,9-11H2,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,15,17,14,18,7,19,11,16,5,13,4,9,21,8,20,10,12/E:(5,6)(7,8)/rA:21nCCCCCCCNCOCOCCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₆ClNO₃
All Atoms:	37
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	7.71552
Area:	521.753
Solvation:	-5.3283
Coulombic:	-46.7476

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	305.756
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.63
LogP (Chemaxon):	2.48

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