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

C17H17ClN2O — CID 112987129

IUPACN-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)C3CC3)cc2)cc1Cl
InChIInChI=1S/C17H17ClN2O/c1-11-2-5-15(10-16(11)18)19-13-6-8-14(9-7-13)20-17(21)12-3-4-12/h2,5-10,12,19H,3-4H2,1H3,(H,20,21)
InChIKeyHDODPVUVRHIDGW-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.74
Rot. Bonds4

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

N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide (PubChem CID 112987129) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide
PubChem CID112987129
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)C3CC3)cc2)cc1Cl
InChIInChI=1S/C17H17ClN2O/c1-11-2-5-15(10-16(11)18)19-13-6-8-14(9-7-13)20-17(21)12-3-4-12/h2,5-10,12,19H,3-4H2,1H3,(H,20,21)
InChIKeyHDODPVUVRHIDGW-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147440
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146300
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145328
N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
CID 112985938
1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151001
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682147
N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344122
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300
N-[4-(3-chloro-4-fluoroanilino)phenyl]oxane-4-carboxamide
CID 112987167
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide (CID 112987129) is N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide is Cc1ccc(Nc2ccc(NC(=O)C3CC3)cc2)cc1Cl.
What is the InChIKey of N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide?
The InChIKey is HDODPVUVRHIDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-2-5-15(10-16(11)18)19-13-6-8-14(9-7-13)20-17(21)12-3-4-12/h2,5-10,12,19H,3-4H2,1H3,(H,20,21).
What are the key properties of N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide?
N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide has a molecular weight of 300.79 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 112987129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).