N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide

C16H13ClN2O2 — CID 99818947

IUPACN-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide
SMILESN#C[C@H](NC(=O)Cc1ccc(O)cc1)c1ccccc1Cl
InChIInChI=1S/C16H13ClN2O2/c17-14-4-2-1-3-13(14)15(10-18)19-16(21)9-11-5-7-12(20)8-6-11/h1-8,15,20H,9H2,(H,19,21)/t15-/m0/s1
InChIKeyWYMFOTVVKBWJFR-HNNXBMFYSA-N
MW300.75 g/mol
LogP2.97
Rot. Bonds4

About N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide

N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 99818947) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide
PubChem CID99818947
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC NameN-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide
SMILESN#C[C@H](NC(=O)Cc1ccc(O)cc1)c1ccccc1Cl
InChIInChI=1S/C16H13ClN2O2/c17-14-4-2-1-3-13(14)15(10-18)19-16(21)9-11-5-7-12(20)8-6-11/h1-8,15,20H,9H2,(H,19,21)/t15-/m0/s1
InChIKeyWYMFOTVVKBWJFR-HNNXBMFYSA-N
XLogP2.97
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-chlorophenyl)-cyanomethyl]amino]-4-oxobutanoic acid
CID 70211689
N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide
CID 124606737
2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile
CID 82019870
2-(2-chlorophenyl)-2-(ethylamino)acetonitrile
CID 25213809
N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026
N-[(S)-(2-chlorophenyl)-cyanomethyl]-6-fluoropyridine-3-carboxamide
CID 96568893
4-[[(2-chlorophenyl)-cyanomethyl]amino]benzoic acid
CID 139219939
N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide
CID 124593537
N-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide
CID 56784314
N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-fluoro-6-methylsulfanylbenzamide
CID 129433395
N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 97245984
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide (CID 99818947) is N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide is N#C[C@H](NC(=O)Cc1ccc(O)cc1)c1ccccc1Cl.
What is the InChIKey of N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is WYMFOTVVKBWJFR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-14-4-2-1-3-13(14)15(10-18)19-16(21)9-11-5-7-12(20)8-6-11/h1-8,15,20H,9H2,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide?
N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 300.75 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 99818947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).