4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide

C22H23N3O3 — CID 17296301

IUPAC4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c(NC(=O)C2CC2)c1
InChIInChI=1S/C22H23N3O3/c1-13-2-11-18(19(12-13)25-22(28)15-5-6-15)24-21(27)16-7-9-17(10-8-16)23-20(26)14-3-4-14/h2,7-12,14-15H,3-6H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyFOPAYXNBCMCVDW-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.94
Rot. Bonds6

About 4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide

4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide (PubChem CID 17296301) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide
PubChem CID17296301
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c(NC(=O)C2CC2)c1
InChIInChI=1S/C22H23N3O3/c1-13-2-11-18(19(12-13)25-22(28)15-5-6-15)24-21(27)16-7-9-17(10-8-16)23-20(26)14-3-4-14/h2,7-12,14-15H,3-6H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyFOPAYXNBCMCVDW-UHFFFAOYSA-N
XLogP3.94
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide
CID 131902266
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
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4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide
CID 9326139
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073
4-(cyclopropanecarbonylamino)-N-(2-phenylphenyl)benzamide
CID 78767990
N-(2-acetylphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 112760957
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid
CID 17172311
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074
N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 17171637

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide (CID 17296301) is 4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c(NC(=O)C2CC2)c1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide?
The InChIKey is FOPAYXNBCMCVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13-2-11-18(19(12-13)25-22(28)15-5-6-15)24-21(27)16-7-9-17(10-8-16)23-20(26)14-3-4-14/h2,7-12,14-15H,3-6H2,1H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide is sourced from PubChem (CID 17296301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).