N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide

C18H20N2O — CID 28658973

IUPACN-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide
SMILESCc1cccc(CNc2cccc(C(=O)NC3CC3)c2)c1
InChIInChI=1S/C18H20N2O/c1-13-4-2-5-14(10-13)12-19-17-7-3-6-15(11-17)18(21)20-16-8-9-16/h2-7,10-11,16,19H,8-9,12H2,1H3,(H,20,21)
InChIKeyRAIJQZBFWAKKLH-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.50
Rot. Bonds5

About N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide

N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide (PubChem CID 28658973) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide
PubChem CID28658973
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide
SMILESCc1cccc(CNc2cccc(C(=O)NC3CC3)c2)c1
InChIInChI=1S/C18H20N2O/c1-13-4-2-5-14(10-13)12-19-17-7-3-6-15(11-17)18(21)20-16-8-9-16/h2-7,10-11,16,19H,8-9,12H2,1H3,(H,20,21)
InChIKeyRAIJQZBFWAKKLH-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 162638258
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CID 66399986
3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide
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tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate
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N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide
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4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046875
N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
CID 47033154
N-cyclopropyl-3-[(4-methoxy-2-methylphenyl)methylamino]benzamide
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N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232371
N-(4-bromocyclohexyl)-3-methylbenzamide
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N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide?
The IUPAC name of N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide (CID 28658973) is N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide is Cc1cccc(CNc2cccc(C(=O)NC3CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide?
The InChIKey is RAIJQZBFWAKKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-4-2-5-14(10-13)12-19-17-7-3-6-15(11-17)18(21)20-16-8-9-16/h2-7,10-11,16,19H,8-9,12H2,1H3,(H,20,21).
What are the key properties of N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide?
N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide is sourced from PubChem (CID 28658973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).