2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide

C13H18BrN3O2 — CID 90387021

IUPAC2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide
SMILESCCCC(NC(=O)Nc1ccc(Br)cc1)C(=O)NC
InChIInChI=1S/C13H18BrN3O2/c1-3-4-11(12(18)15-2)17-13(19)16-10-7-5-9(14)6-8-10/h5-8,11H,3-4H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyUMQJXFKUIMBNNC-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.49
Rot. Bonds5

About 2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide

2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide (PubChem CID 90387021) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide
PubChem CID90387021
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide
SMILESCCCC(NC(=O)Nc1ccc(Br)cc1)C(=O)NC
InChIInChI=1S/C13H18BrN3O2/c1-3-4-11(12(18)15-2)17-13(19)16-10-7-5-9(14)6-8-10/h5-8,11H,3-4H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyUMQJXFKUIMBNNC-UHFFFAOYSA-N
XLogP2.49
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]methoxy]-oxophosphanium
CID 90387201
1-(4-bromophenyl)-3-[(4S)-5,8-dioxononan-4-yl]urea
CID 159464677
(2S)-2-[(4-bromophenyl)carbamoylamino]-N-(diethoxyphosphorylmethyl)pentanamide
CID 71811754
(2S)-N-(1-amino-1-oxopentan-2-yl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide
CID 71525827
2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide
CID 123596637
(2S)-2-[[2-[(4-bromophenyl)carbamoylamino]acetyl]amino]pentanoic acid
CID 126520434
(2S)-2-[(4-bromophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825877
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
2-[(3-bromophenyl)carbamoylamino]pentanoic acid
CID 61191177
(2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide
CID 7218963
(2S)-2-[(2,5-dibromophenyl)carbamoylamino]pentanoic acid
CID 107566463

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide?
The IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide (CID 90387021) is 2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide.
What is the SMILES notation for 2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide?
The canonical SMILES for 2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide is CCCC(NC(=O)Nc1ccc(Br)cc1)C(=O)NC.
What is the InChIKey of 2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide?
The InChIKey is UMQJXFKUIMBNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-3-4-11(12(18)15-2)17-13(19)16-10-7-5-9(14)6-8-10/h5-8,11H,3-4H2,1-2H3,(H,15,18)(H2,16,17,19).
What are the key properties of 2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide?
2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide has a molecular weight of 328.21 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide is sourced from PubChem (CID 90387021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).