4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide

C14H11ClFN3O2 — CID 108896594

IUPAC4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide
SMILESNc1ccc(C(=O)NC(=O)Nc2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H11ClFN3O2/c15-10-2-1-3-11(16)12(10)18-14(21)19-13(20)8-4-6-9(17)7-5-8/h1-7H,17H2,(H2,18,19,20,21)
InChIKeySPJLTFQJFYVHQY-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.02
Rot. Bonds2

About 4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide

4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide (PubChem CID 108896594) has the molecular formula C14H11ClFN3O2 and a molecular weight of 307.71 g/mol. Its IUPAC name is 4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide
PubChem CID108896594
Molecular FormulaC14H11ClFN3O2
Molecular Weight307.71 g/mol
Exact Mass307.05
IUPAC Name4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide
SMILESNc1ccc(C(=O)NC(=O)Nc2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H11ClFN3O2/c15-10-2-1-3-11(16)12(10)18-14(21)19-13(20)8-4-6-9(17)7-5-8/h1-7H,17H2,(H2,18,19,20,21)
InChIKeySPJLTFQJFYVHQY-UHFFFAOYSA-N
XLogP3.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-(2,6-difluorophenyl)urea
CID 43469078
1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279
N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide
CID 108884186
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea
CID 108896387
N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 108896360
1-(2-chloro-6-fluorophenyl)-3-(diaminomethylidene)urea
CID 3043990
N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide
CID 107728554
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
N-(2-chloro-6-fluorophenyl)-3,5-dihydroxybenzamide
CID 107704313
5-amino-N-(2-chloro-6-fluorophenyl)pyrazine-2-carboxamide
CID 107377043
(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide
CID 104877858
4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide
CID 108900107

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide?
The IUPAC name of 4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide (CID 108896594) is 4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide.
What is the SMILES notation for 4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide?
The canonical SMILES for 4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide is Nc1ccc(C(=O)NC(=O)Nc2c(F)cccc2Cl)cc1.
What is the InChIKey of 4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide?
The InChIKey is SPJLTFQJFYVHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O2/c15-10-2-1-3-11(16)12(10)18-14(21)19-13(20)8-4-6-9(17)7-5-8/h1-7H,17H2,(H2,18,19,20,21).
What are the key properties of 4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide?
4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide has a molecular weight of 307.71 g/mol, XLogP of 3.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide is sourced from PubChem (CID 108896594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).