N-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide

C15H20BrN3O — CID 75381830

IUPACN-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Br)cc1NCCCC(C)(C)C#N
InChIInChI=1S/C15H20BrN3O/c1-11(20)19-13-6-5-12(16)9-14(13)18-8-4-7-15(2,3)10-17/h5-6,9,18H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyAWGROGQFBTUTMR-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.15
Rot. Bonds6

About N-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide

N-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide (PubChem CID 75381830) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide
PubChem CID75381830
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Br)cc1NCCCC(C)(C)C#N
InChIInChI=1S/C15H20BrN3O/c1-11(20)19-13-6-5-12(16)9-14(13)18-8-4-7-15(2,3)10-17/h5-6,9,18H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyAWGROGQFBTUTMR-UHFFFAOYSA-N
XLogP4.15
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,5-dibromoanilino)-2,2-dimethylpentanenitrile
CID 65253982
4-(4-bromo-2-ethylanilino)-2,2-dimethylbutanenitrile
CID 81292133
N-[2-(4-bromo-2-cyanoanilino)ethyl]acetamide
CID 75519932
5-(4-bromo-3,5-dimethylanilino)-2,2-dimethylpentanenitrile
CID 103579712
6-(5-bromo-2,4-difluoroanilino)-2,2-dimethylhexanenitrile
CID 106709680
tert-butyl N-[3-(4-bromo-2-cyanoanilino)propyl]carbamate
CID 82694802
4-bromo-2-(4,4,4-trifluorobutylamino)benzoic acid
CID 114907470
4-(4-bromo-2-cyanoanilino)butanoic acid
CID 82708343
5-anilino-2,2-dimethylpentanenitrile
CID 65256464
4-bromo-2-(5-cyano-5-methylhexyl)sulfinylbenzoic acid
CID 106713654
5-bromo-N-(2-cyano-2-methylpropyl)-2-methylbenzamide
CID 113372673
2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide
CID 114291248

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide?
The IUPAC name of N-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide (CID 75381830) is N-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Br)cc1NCCCC(C)(C)C#N.
What is the InChIKey of N-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide?
The InChIKey is AWGROGQFBTUTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-11(20)19-13-6-5-12(16)9-14(13)18-8-4-7-15(2,3)10-17/h5-6,9,18H,4,7-8H2,1-3H3,(H,19,20).
What are the key properties of N-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide?
N-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide has a molecular weight of 338.25 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-[(4-cyano-4-methylpentyl)amino]phenyl]acetamide is sourced from PubChem (CID 75381830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).