4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide

C14H10Br2ClN3O2 — CID 156854205

IUPAC4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
SMILESNC(=O)c1ccc(Cl)cc1NC(=O)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C14H10Br2ClN3O2/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)
InChIKeyKXHNCEAOXIROTC-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.61
Rot. Bonds3

About 4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide

4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide (PubChem CID 156854205) has the molecular formula C14H10Br2ClN3O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide.

Molecular Properties

Compound Name4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
PubChem CID156854205
Molecular FormulaC14H10Br2ClN3O2
Molecular Weight447.51 g/mol
Exact Mass444.88
IUPAC Name4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
SMILESNC(=O)c1ccc(Cl)cc1NC(=O)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C14H10Br2ClN3O2/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)
InChIKeyKXHNCEAOXIROTC-UHFFFAOYSA-N
XLogP4.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide
CID 166747489
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 156854041
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854074
1-(2-carbamothioyl-5-chlorophenyl)-3-(3-fluorophenyl)urea
CID 64918096
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 172725439
1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea
CID 166747587
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
1-(4-bromo-2-carbamothioylphenyl)-3-(3-chlorophenyl)urea
CID 82693917
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-4-chlorobenzoic acid
CID 11293246
3-bromo-N-(2-carbamothioyl-5-chlorophenyl)-5-methylbenzamide
CID 104851591
N-(2-aminoethyl)-4-chloro-2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854312

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide?
The IUPAC name of 4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide (CID 156854205) is 4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide.
What is the SMILES notation for 4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide?
The canonical SMILES for 4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide is NC(=O)c1ccc(Cl)cc1NC(=O)Nc1cc(Br)cc(Br)c1.
What is the InChIKey of 4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide?
The InChIKey is KXHNCEAOXIROTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClN3O2/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 4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide?
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide has a molecular weight of 447.51 g/mol, XLogP of 4.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide is sourced from PubChem (CID 156854205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).