2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide

C14H11ClFN3O2 — CID 970557

IUPAC2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFN3O2/c15-10-7-8(5-6-11(10)16)18-14(21)19-12-4-2-1-3-9(12)13(17)20/h1-7H,(H2,17,20)(H2,18,19,21)
InChIKeyVWJXYCKHLKCEQZ-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.22
Rot. Bonds3

About 2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide

2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide (PubChem CID 970557) has the molecular formula C14H11ClFN3O2 and a molecular weight of 307.71 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide
PubChem CID970557
Molecular FormulaC14H11ClFN3O2
Molecular Weight307.71 g/mol
Exact Mass307.05
IUPAC Name2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFN3O2/c15-10-7-8(5-6-11(10)16)18-14(21)19-12-4-2-1-3-9(12)13(17)20/h1-7H,(H2,17,20)(H2,18,19,21)
InChIKeyVWJXYCKHLKCEQZ-UHFFFAOYSA-N
XLogP3.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide (CID 970557) is 2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide is NC(=O)c1ccccc1NC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide?
The InChIKey is VWJXYCKHLKCEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O2/c15-10-7-8(5-6-11(10)16)18-14(21)19-12-4-2-1-3-9(12)13(17)20/h1-7H,(H2,17,20)(H2,18,19,21).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide?
2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide has a molecular weight of 307.71 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide is sourced from PubChem (CID 970557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).