1-benzamido-3-(3,4-dichlorophenyl)urea

C14H11Cl2N3O2 — CID 772419

IUPAC1-benzamido-3-(3,4-dichlorophenyl)urea
SMILESO=C(NNC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O2/c15-11-7-6-10(8-12(11)16)17-14(21)19-18-13(20)9-4-2-1-3-5-9/h1-8H,(H,18,20)(H2,17,19,21)
InChIKeyWYAWEFIHPLYWEI-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.46
Rot. Bonds2

About 1-benzamido-3-(3,4-dichlorophenyl)urea

1-benzamido-3-(3,4-dichlorophenyl)urea (PubChem CID 772419) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 1-benzamido-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-benzamido-3-(3,4-dichlorophenyl)urea
PubChem CID772419
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name1-benzamido-3-(3,4-dichlorophenyl)urea
SMILESO=C(NNC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O2/c15-11-7-6-10(8-12(11)16)17-14(21)19-18-13(20)9-4-2-1-3-5-9/h1-8H,(H,18,20)(H2,17,19,21)
InChIKeyWYAWEFIHPLYWEI-UHFFFAOYSA-N
XLogP3.46
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.46
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-benzamido-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-benzamido-3-(3,4-dichlorophenyl)urea (CID 772419) is 1-benzamido-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-benzamido-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-benzamido-3-(3,4-dichlorophenyl)urea is O=C(NNC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-benzamido-3-(3,4-dichlorophenyl)urea?
The InChIKey is WYAWEFIHPLYWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-11-7-6-10(8-12(11)16)17-14(21)19-18-13(20)9-4-2-1-3-5-9/h1-8H,(H,18,20)(H2,17,19,21).
What are the key properties of 1-benzamido-3-(3,4-dichlorophenyl)urea?
1-benzamido-3-(3,4-dichlorophenyl)urea has a molecular weight of 324.17 g/mol, XLogP of 3.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 772419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).