4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide

C20H15BrClN3O2 — CID 55832366

IUPAC4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C20H15BrClN3O2/c21-13-6-11-17(18(22)12-13)19(26)23-15-7-9-16(10-8-15)25-20(27)24-14-4-2-1-3-5-14/h1-12H,(H,23,26)(H2,24,25,27)
InChIKeyVDVGTHXFKKCIOJ-UHFFFAOYSA-N
MW444.72 g/mol
LogP6.00
Rot. Bonds4

About 4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide

4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide (PubChem CID 55832366) has the molecular formula C20H15BrClN3O2 and a molecular weight of 444.72 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide
PubChem CID55832366
Molecular FormulaC20H15BrClN3O2
Molecular Weight444.72 g/mol
Exact Mass443.00
IUPAC Name4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C20H15BrClN3O2/c21-13-6-11-17(18(22)12-13)19(26)23-15-7-9-16(10-8-15)25-20(27)24-14-4-2-1-3-5-14/h1-12H,(H,23,26)(H2,24,25,27)
InChIKeyVDVGTHXFKKCIOJ-UHFFFAOYSA-N
XLogP6.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.72
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
CID 55834573
4-bromo-2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 63935703
5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 43805393
4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide
CID 114307309
4-bromo-2-chloro-N-(3-ethynylphenyl)benzamide
CID 47278272
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide
CID 60514790
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810
1-[(2-chlorobenzoyl)amino]-3-phenylurea
CID 904342
2,4-dibromo-N-(3-bromo-4-chlorophenyl)benzamide
CID 107939196
2-anilino-5-bromo-N-phenylbenzamide
CID 23094060

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide (CID 55832366) is 4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide is O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
The InChIKey is VDVGTHXFKKCIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClN3O2/c21-13-6-11-17(18(22)12-13)19(26)23-15-7-9-16(10-8-15)25-20(27)24-14-4-2-1-3-5-14/h1-12H,(H,23,26)(H2,24,25,27).
What are the key properties of 4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide has a molecular weight of 444.72 g/mol, XLogP of 6.00, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 55832366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).