N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide

C17H18N2O — CID 112985938

IUPACN-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C17H18N2O/c1-12-3-2-4-16(11-12)18-14-7-9-15(10-8-14)19-17(20)13-5-6-13/h2-4,7-11,13,18H,5-6H2,1H3,(H,19,20)
InChIKeyPKRXURXKSMFVNW-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.09
Rot. Bonds4

About N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide

N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide (PubChem CID 112985938) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
PubChem CID112985938
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C17H18N2O/c1-12-3-2-4-16(11-12)18-14-7-9-15(10-8-14)19-17(20)13-5-6-13/h2-4,7-11,13,18H,5-6H2,1H3,(H,19,20)
InChIKeyPKRXURXKSMFVNW-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150457
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
CID 110178754
1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150450
N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide
CID 112987129
N-(3-methylphenyl)-1,1-dioxothiane-4-carboxamide
CID 110856707
4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144346
1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146142
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide
CID 126781653

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide (CID 112985938) is N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide is Cc1cccc(Nc2ccc(NC(=O)C3CC3)cc2)c1.
What is the InChIKey of N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide?
The InChIKey is PKRXURXKSMFVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-3-2-4-16(11-12)18-14-7-9-15(10-8-14)19-17(20)13-5-6-13/h2-4,7-11,13,18H,5-6H2,1H3,(H,19,20).
What are the key properties of N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide?
N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide has a molecular weight of 266.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 112985938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).