2-bromo-N-[4-(carbamoylamino)phenyl]propanamide

C10H12BrN3O2 — CID 107903880

IUPAC2-bromo-N-[4-(carbamoylamino)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C10H12BrN3O2/c1-6(11)9(15)13-7-2-4-8(5-3-7)14-10(12)16/h2-6H,1H3,(H,13,15)(H3,12,14,16)
InChIKeyQTZVCXYHQNQDDP-UHFFFAOYSA-N
MW286.13 g/mol
LogP1.90
Rot. Bonds3

About 2-bromo-N-[4-(carbamoylamino)phenyl]propanamide

2-bromo-N-[4-(carbamoylamino)phenyl]propanamide (PubChem CID 107903880) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-bromo-N-[4-(carbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[4-(carbamoylamino)phenyl]propanamide
PubChem CID107903880
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2-bromo-N-[4-(carbamoylamino)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C10H12BrN3O2/c1-6(11)9(15)13-7-2-4-8(5-3-7)14-10(12)16/h2-6H,1H3,(H,13,15)(H3,12,14,16)
InChIKeyQTZVCXYHQNQDDP-UHFFFAOYSA-N
XLogP1.90
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-2-bromopropanamide
CID 57300084
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
2-bromo-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 107903873
N-[4-(carbamoylamino)phenyl]-2-methoxypropanamide
CID 47311851
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014328
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
2-bromo-N-(3,4-dimethoxyphenyl)propanamide
CID 25219542
2-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 114014349
(4-bromophenyl)urea
CID 16074
2-bromo-N-[4-(2-cyanopropan-2-yl)phenyl]propanamide
CID 107903592
2-bromo-N-(4-bromo-3-methylphenyl)propanamide
CID 12708491

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(carbamoylamino)phenyl]propanamide?
The IUPAC name of 2-bromo-N-[4-(carbamoylamino)phenyl]propanamide (CID 107903880) is 2-bromo-N-[4-(carbamoylamino)phenyl]propanamide.
What is the SMILES notation for 2-bromo-N-[4-(carbamoylamino)phenyl]propanamide?
The canonical SMILES for 2-bromo-N-[4-(carbamoylamino)phenyl]propanamide is CC(Br)C(=O)Nc1ccc(NC(N)=O)cc1.
What is the InChIKey of 2-bromo-N-[4-(carbamoylamino)phenyl]propanamide?
The InChIKey is QTZVCXYHQNQDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c1-6(11)9(15)13-7-2-4-8(5-3-7)14-10(12)16/h2-6H,1H3,(H,13,15)(H3,12,14,16).
What are the key properties of 2-bromo-N-[4-(carbamoylamino)phenyl]propanamide?
2-bromo-N-[4-(carbamoylamino)phenyl]propanamide has a molecular weight of 286.13 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(carbamoylamino)phenyl]propanamide is sourced from PubChem (CID 107903880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).