3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide

C24H21BrN2O3 — CID 60530746

IUPAC3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccccc1Oc1cccc(Br)c1
InChIInChI=1S/C24H21BrN2O3/c1-15-9-10-16(23(28)26-18-11-12-18)13-21(15)27-24(29)20-7-2-3-8-22(20)30-19-6-4-5-17(25)14-19/h2-10,13-14,18H,11-12H2,1H3,(H,26,28)(H,27,29)
InChIKeyXXFWZNXAEWKPIL-UHFFFAOYSA-N
MW465.35 g/mol
LogP5.69
Rot. Bonds6

About 3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide

3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide (PubChem CID 60530746) has the molecular formula C24H21BrN2O3 and a molecular weight of 465.35 g/mol. Its IUPAC name is 3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide
PubChem CID60530746
Molecular FormulaC24H21BrN2O3
Molecular Weight465.35 g/mol
Exact Mass464.07
IUPAC Name3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccccc1Oc1cccc(Br)c1
InChIInChI=1S/C24H21BrN2O3/c1-15-9-10-16(23(28)26-18-11-12-18)13-21(15)27-24(29)20-7-2-3-8-22(20)30-19-6-4-5-17(25)14-19/h2-10,13-14,18H,11-12H2,1H3,(H,26,28)(H,27,29)
InChIKeyXXFWZNXAEWKPIL-UHFFFAOYSA-N
XLogP5.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.35
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46486838
4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230189
1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55964791
2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide
CID 52668970
3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
CID 16789136
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
CID 58786259
N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide
CID 55897484
6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 46459917
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide (CID 60530746) is 3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccccc1Oc1cccc(Br)c1.
What is the InChIKey of 3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is XXFWZNXAEWKPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O3/c1-15-9-10-16(23(28)26-18-11-12-18)13-21(15)27-24(29)20-7-2-3-8-22(20)30-19-6-4-5-17(25)14-19/h2-10,13-14,18H,11-12H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide?
3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 465.35 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 60530746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).