2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide

C16H14ClN3O — CID 81311876

IUPAC2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide
SMILESN#Cc1cc(NC(=O)Cc2ccccc2CN)ccc1Cl
InChIInChI=1S/C16H14ClN3O/c17-15-6-5-14(7-13(15)10-19)20-16(21)8-11-3-1-2-4-12(11)9-18/h1-7H,8-9,18H2,(H,20,21)
InChIKeyNSCCBUKIDXYKCQ-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.85
Rot. Bonds4

About 2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide (PubChem CID 81311876) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide
PubChem CID81311876
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide
SMILESN#Cc1cc(NC(=O)Cc2ccccc2CN)ccc1Cl
InChIInChI=1S/C16H14ClN3O/c17-15-6-5-14(7-13(15)10-19)20-16(21)8-11-3-1-2-4-12(11)9-18/h1-7H,8-9,18H2,(H,20,21)
InChIKeyNSCCBUKIDXYKCQ-UHFFFAOYSA-N
XLogP2.85
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741182
2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide
CID 107808029
3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 81312309
2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798189
2-amino-N-(4-chloro-3-cyanophenyl)propanamide
CID 43703829
N-(3-acetylphenyl)-2-[2-(aminomethyl)phenyl]acetamide
CID 81313310
2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide
CID 81311332
2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide
CID 79256372
2-[2-(aminomethyl)phenyl]-N-(3-hydroxy-4-methylphenyl)acetamide
CID 107701531
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 62315790
methyl 2-[(4-chloro-3-cyanoanilino)methyl]benzoate
CID 43781729

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide (CID 81311876) is 2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide is N#Cc1cc(NC(=O)Cc2ccccc2CN)ccc1Cl.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide?
The InChIKey is NSCCBUKIDXYKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-15-6-5-14(7-13(15)10-19)20-16(21)8-11-3-1-2-4-12(11)9-18/h1-7H,8-9,18H2,(H,20,21).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide has a molecular weight of 299.76 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide is sourced from PubChem (CID 81311876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).