1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea

C15H13BrClN3O2 — CID 1014745

IUPAC1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea
SMILESO=C(Cc1ccc(Br)cc1)NNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClN3O2/c16-11-3-1-10(2-4-11)9-14(21)19-20-15(22)18-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,19,21)(H2,18,20,22)
InChIKeyHDYJWJIHABVSLF-UHFFFAOYSA-N
MW382.65 g/mol
LogP3.50
Rot. Bonds3

About 1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea

1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea (PubChem CID 1014745) has the molecular formula C15H13BrClN3O2 and a molecular weight of 382.65 g/mol. Its IUPAC name is 1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea
PubChem CID1014745
Molecular FormulaC15H13BrClN3O2
Molecular Weight382.65 g/mol
Exact Mass380.99
IUPAC Name1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea
SMILESO=C(Cc1ccc(Br)cc1)NNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClN3O2/c16-11-3-1-10(2-4-11)9-14(21)19-20-15(22)18-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,19,21)(H2,18,20,22)
InChIKeyHDYJWJIHABVSLF-UHFFFAOYSA-N
XLogP3.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.65
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea (CID 1014745) is 1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea is O=C(Cc1ccc(Br)cc1)NNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea?
The InChIKey is HDYJWJIHABVSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3O2/c16-11-3-1-10(2-4-11)9-14(21)19-20-15(22)18-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,19,21)(H2,18,20,22).
What are the key properties of 1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea?
1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea has a molecular weight of 382.65 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-bromophenyl)acetyl]amino]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 1014745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).