N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide

C27H21Br2N3O3 — CID 4942012

IUPACN-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc(Br)cc1Br)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C27H21Br2N3O3/c28-18-10-15-25(23(29)16-18)35-17-26(33)32-24-9-5-4-8-22(24)27(34)31-21-13-11-20(12-14-21)30-19-6-2-1-3-7-19/h1-16,30H,17H2,(H,31,34)(H,32,33)
InChIKeyQCAYVQDXTBXARW-UHFFFAOYSA-N
MW595.29 g/mol
LogP7.22
Rot. Bonds8

About N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide

N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide (PubChem CID 4942012) has the molecular formula C27H21Br2N3O3 and a molecular weight of 595.29 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
PubChem CID4942012
Molecular FormulaC27H21Br2N3O3
Molecular Weight595.29 g/mol
Exact Mass592.99
IUPAC NameN-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc(Br)cc1Br)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C27H21Br2N3O3/c28-18-10-15-25(23(29)16-18)35-17-26(33)32-24-9-5-4-8-22(24)27(34)31-21-13-11-20(12-14-21)30-19-6-2-1-3-7-19/h1-16,30H,17H2,(H,31,34)(H,32,33)
InChIKeyQCAYVQDXTBXARW-UHFFFAOYSA-N
XLogP7.22
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.29
LogP ≤ 57.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 4941879
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17350098
N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 4942018
2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949434
N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 4936441
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203
4-[[2-[[2-(2,4,6-tribromophenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 17296347
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-3-bromo-4-propoxybenzamide
CID 17342800
N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013861
N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide
CID 4941967

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide (CID 4942012) is N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide is O=C(COc1ccc(Br)cc1Br)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
The InChIKey is QCAYVQDXTBXARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Br2N3O3/c28-18-10-15-25(23(29)16-18)35-17-26(33)32-24-9-5-4-8-22(24)27(34)31-21-13-11-20(12-14-21)30-19-6-2-1-3-7-19/h1-16,30H,17H2,(H,31,34)(H,32,33).
What are the key properties of N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide has a molecular weight of 595.29 g/mol, XLogP of 7.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 4942012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).