1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea

C14H11BrClN3O2 — CID 1011161

IUPAC1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea
SMILESO=C(NNC(=O)c1cccc(Br)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClN3O2/c15-10-3-1-2-9(8-10)13(20)18-19-14(21)17-12-6-4-11(16)5-7-12/h1-8H,(H,18,20)(H2,17,19,21)
InChIKeyHVVLYHKZESGBJF-UHFFFAOYSA-N
MW368.62 g/mol
LogP3.57
Rot. Bonds2

About 1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea

1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea (PubChem CID 1011161) has the molecular formula C14H11BrClN3O2 and a molecular weight of 368.62 g/mol. Its IUPAC name is 1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea
PubChem CID1011161
Molecular FormulaC14H11BrClN3O2
Molecular Weight368.62 g/mol
Exact Mass366.97
IUPAC Name1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea
SMILESO=C(NNC(=O)c1cccc(Br)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClN3O2/c15-10-3-1-2-9(8-10)13(20)18-19-14(21)17-12-6-4-11(16)5-7-12/h1-8H,(H,18,20)(H2,17,19,21)
InChIKeyHVVLYHKZESGBJF-UHFFFAOYSA-N
XLogP3.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.62
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Benzamido-3-(4-chlorophenyl)thiourea
CID 5202474
3-bromo-N-(3-chlorophenyl)benzamide
CID 531997
2-(3-Bromobenzoyl)-N-phenylhydrazinecarbothioamide
CID 1250783
1-Benzoyl-4-(4-bromophenyl)thiosemicarbazide
CID 11462223
N-({[(3-chlorophenyl)amino]thioxomethyl}amino)benzamide
CID 24819125
N-(3-chlorophenyl)-2-(phenylacetyl)hydrazinecarboxamide
CID 841948
2-tert-butyl-2-(2-chlorobenzoyl)-N-phenylhydrazinecarboxamide
CID 682785
2-[(4-bromophenyl)acetyl]-N-(4-chlorophenyl)hydrazinecarboxamide
CID 1014745
2-(3-bromobenzoyl)-N-(o-tolyl)hydrazinecarbothioamide
CID 1534754
2-[(2-bromophenyl)carbonyl]-N-(2-chlorophenyl)hydrazinecarbothioamide
CID 24818525
2-[(5-bromo-2-chlorophenyl)carbonyl]-N-phenylhydrazinecarbothioamide
CID 24819608
1-[Tert-butyl-[(3,5-dimethylphenyl)-oxomethyl]amino]-3-(4-chlorophenyl)urea
CID 989653

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea (CID 1011161) is 1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea is O=C(NNC(=O)c1cccc(Br)c1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea?
The InChIKey is HVVLYHKZESGBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3O2/c15-10-3-1-2-9(8-10)13(20)18-19-14(21)17-12-6-4-11(16)5-7-12/h1-8H,(H,18,20)(H2,17,19,21).
What are the key properties of 1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea?
1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea has a molecular weight of 368.62 g/mol, XLogP of 3.57, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 1011161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).