(2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide

C12H15BrFN3O2 — CID 71569839

IUPAC(2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide
SMILESCCC[C@H](NC(=O)Nc1ccc(Br)cc1F)C(N)=O
InChIInChI=1S/C12H15BrFN3O2/c1-2-3-10(11(15)18)17-12(19)16-9-5-4-7(13)6-8(9)14/h4-6,10H,2-3H2,1H3,(H2,15,18)(H2,16,17,19)/t10-/m0/s1
InChIKeyNCGFHZIIAHUIRJ-JTQLQIEISA-N
MW332.17 g/mol
LogP2.36
Rot. Bonds5

About (2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide

(2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide (PubChem CID 71569839) has the molecular formula C12H15BrFN3O2 and a molecular weight of 332.17 g/mol. Its IUPAC name is (2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide
PubChem CID71569839
Molecular FormulaC12H15BrFN3O2
Molecular Weight332.17 g/mol
Exact Mass331.03
IUPAC Name(2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide
SMILESCCC[C@H](NC(=O)Nc1ccc(Br)cc1F)C(N)=O
InChIInChI=1S/C12H15BrFN3O2/c1-2-3-10(11(15)18)17-12(19)16-9-5-4-7(13)6-8(9)14/h4-6,10H,2-3H2,1H3,(H2,15,18)(H2,16,17,19)/t10-/m0/s1
InChIKeyNCGFHZIIAHUIRJ-JTQLQIEISA-N
XLogP2.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide 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

2-[(4-bromo-2-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 61182636
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
1-(4-bromo-2-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110890470
1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea
CID 154969132
(2S)-N-(1-amino-1-oxopentan-2-yl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide
CID 71525827
(2S)-2-[(2,5-dibromophenyl)carbamoylamino]pentanoic acid
CID 107566463
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]pentanoic acid
CID 102854406
2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454
(2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-[(2S)-4,4-dimethylpentan-2-yl]-4-methylpentanamide
CID 154487219
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
CID 61174208
2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 78098636

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide?
The IUPAC name of (2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide (CID 71569839) is (2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide.
What is the SMILES notation for (2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide?
The canonical SMILES for (2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide is CCC[C@H](NC(=O)Nc1ccc(Br)cc1F)C(N)=O.
What is the InChIKey of (2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide?
The InChIKey is NCGFHZIIAHUIRJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15BrFN3O2/c1-2-3-10(11(15)18)17-12(19)16-9-5-4-7(13)6-8(9)14/h4-6,10H,2-3H2,1H3,(H2,15,18)(H2,16,17,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide?
(2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide has a molecular weight of 332.17 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide is sourced from PubChem (CID 71569839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).