2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide

C14H10BrClFN3O2 — CID 166747489

IUPAC2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)cc1NC(=O)Nc1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H10BrClFN3O2/c15-7-3-8(16)5-10(4-7)19-14(22)20-12-6-9(17)1-2-11(12)13(18)21/h1-6H,(H2,18,21)(H2,19,20,22)
InChIKeyNSFBFWNROHFYNV-UHFFFAOYSA-N
MW386.61 g/mol
LogP3.98
Rot. Bonds3

About 2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide

2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide (PubChem CID 166747489) has the molecular formula C14H10BrClFN3O2 and a molecular weight of 386.61 g/mol. Its IUPAC name is 2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide.

Molecular Properties

Compound Name2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide
PubChem CID166747489
Molecular FormulaC14H10BrClFN3O2
Molecular Weight386.61 g/mol
Exact Mass384.96
IUPAC Name2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)cc1NC(=O)Nc1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H10BrClFN3O2/c15-7-3-8(16)5-10(4-7)19-14(22)20-12-6-9(17)1-2-11(12)13(18)21/h1-6H,(H2,18,21)(H2,19,20,22)
InChIKeyNSFBFWNROHFYNV-UHFFFAOYSA-N
XLogP3.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854205
2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 156854108
4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide
CID 156854097
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 172725439
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide
CID 156854112
2-[(3-bromophenyl)carbamoylamino]-4-fluorobenzoic acid
CID 61189999
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea
CID 156854203
1-(2-carbamothioyl-5-chlorophenyl)-3-(3-fluorophenyl)urea
CID 64918096
2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854272
(3-bromo-5-chlorophenyl)thiourea
CID 131211224

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide?
The IUPAC name of 2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide (CID 166747489) is 2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide.
What is the SMILES notation for 2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide?
The canonical SMILES for 2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide is NC(=O)c1ccc(F)cc1NC(=O)Nc1cc(Cl)cc(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide?
The InChIKey is NSFBFWNROHFYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFN3O2/c15-7-3-8(16)5-10(4-7)19-14(22)20-12-6-9(17)1-2-11(12)13(18)21/h1-6H,(H2,18,21)(H2,19,20,22).
What are the key properties of 2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide?
2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide has a molecular weight of 386.61 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide is sourced from PubChem (CID 166747489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).