N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide

C16H14BrN3O — CID 107804330

IUPACN-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)Nc2cccc(Br)c2)c1C#N
InChIInChI=1S/C16H14BrN3O/c1-11-4-2-7-15(14(11)9-18)19-10-16(21)20-13-6-3-5-12(17)8-13/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyQERHPNFKLVXVTP-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.68
Rot. Bonds4

About N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide

N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide (PubChem CID 107804330) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide
PubChem CID107804330
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)Nc2cccc(Br)c2)c1C#N
InChIInChI=1S/C16H14BrN3O/c1-11-4-2-7-15(14(11)9-18)19-10-16(21)20-13-6-3-5-12(17)8-13/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyQERHPNFKLVXVTP-UHFFFAOYSA-N
XLogP3.68
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide
CID 107804495
N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide
CID 107804329
N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide
CID 26437461
N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide
CID 103585627
methyl 2-(2-cyano-3-methylanilino)acetate
CID 107799414
N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide
CID 109042155
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126417064
N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 28515380
N-(3-bromophenyl)-2-[4-(cyanomethyl)anilino]acetamide
CID 60661792
N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102349
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide (CID 107804330) is N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide is Cc1cccc(NCC(=O)Nc2cccc(Br)c2)c1C#N.
What is the InChIKey of N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide?
The InChIKey is QERHPNFKLVXVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-11-4-2-7-15(14(11)9-18)19-10-16(21)20-13-6-3-5-12(17)8-13/h2-8,19H,10H2,1H3,(H,20,21).
What are the key properties of N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide?
N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide has a molecular weight of 344.21 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide is sourced from PubChem (CID 107804330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).