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

C16H14ClN3O — CID 71978101

IUPACN-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2cccc(C#N)c2)c(Cl)c1
InChIInChI=1S/C16H14ClN3O/c1-11(21)20-14-5-6-16(15(17)8-14)19-10-13-4-2-3-12(7-13)9-18/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyLJSBVQGFZXXTGM-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.78
Rot. Bonds4

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

N-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide (PubChem CID 71978101) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide
PubChem CID71978101
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2cccc(C#N)c2)c(Cl)c1
InChIInChI=1S/C16H14ClN3O/c1-11(21)20-14-5-6-16(15(17)8-14)19-10-13-4-2-3-12(7-13)9-18/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyLJSBVQGFZXXTGM-UHFFFAOYSA-N
XLogP3.78
TPSA64.92 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 ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-chloro-4-cyanoanilino)methyl]phenyl]acetamide
CID 107807525
3-[(4-amino-2-chloroanilino)methyl]benzonitrile
CID 62312004
N-[3-[(4-chloro-2-cyanoanilino)methyl]phenyl]acetamide
CID 133285849
3-[[(3-chloro-4-pyridinyl)amino]methyl]benzonitrile
CID 79840330
4-[(3-cyanophenyl)methylamino]-N-methylbenzamide
CID 43231738
N-[2-chloro-4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43690205
3-chloro-4-[[3-(methoxymethyl)phenyl]methylamino]benzonitrile
CID 63093448
5-amino-2-[(3-cyanophenyl)methylamino]benzamide
CID 62315337
N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide
CID 78916095
3-[(2-amino-3-chloroanilino)methyl]benzonitrile
CID 113458616
4-[(3-cyanophenyl)methylamino]-3-methoxybenzonitrile
CID 104843630
3-[(3-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 43726891

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide (CID 71978101) is N-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide is CC(=O)Nc1ccc(NCc2cccc(C#N)c2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide?
The InChIKey is LJSBVQGFZXXTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11(21)20-14-5-6-16(15(17)8-14)19-10-13-4-2-3-12(7-13)9-18/h2-8,19H,10H2,1H3,(H,20,21).
What are the key properties of N-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide?
N-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide has a molecular weight of 299.76 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 71978101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).