N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide

C18H18N2O2 — CID 39991684

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H18N2O2/c1-12-5-2-3-8-16(12)18(22)20-15-7-4-6-14(11-15)19-17(21)13-9-10-13/h2-8,11,13H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyGBRCQZMQXSMHHR-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.60
Rot. Bonds4

About N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide

N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide (PubChem CID 39991684) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
PubChem CID39991684
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H18N2O2/c1-12-5-2-3-8-16(12)18(22)20-15-7-4-6-14(11-15)19-17(21)13-9-10-13/h2-8,11,13H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyGBRCQZMQXSMHHR-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[3-(cyclopentanecarbonylamino)phenyl]-2-methoxybenzamide
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N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide
CID 43057660
N-[3-(cyclohexanecarbonylamino)phenyl]-2-methoxybenzamide
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4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide
CID 46578980
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylbenzamide
CID 27889252
N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4612076
N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
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2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide (CID 39991684) is N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide?
The InChIKey is GBRCQZMQXSMHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-5-2-3-8-16(12)18(22)20-15-7-4-6-14(11-15)19-17(21)13-9-10-13/h2-8,11,13H,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide is sourced from PubChem (CID 39991684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).