1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide

C18H19ClN2O — CID 110439132

IUPAC1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H19ClN2O/c1-21(2)16-8-6-15(7-9-16)20-17(22)18(10-11-18)13-4-3-5-14(19)12-13/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyBMKSXZJSZDAUNM-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.08
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 110439132) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID110439132
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H19ClN2O/c1-21(2)16-8-6-15(7-9-16)20-17(22)18(10-11-18)13-4-3-5-14(19)12-13/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyBMKSXZJSZDAUNM-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110439114
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]-N-propan-2-ylbenzamide
CID 55887284
N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide
CID 35709086
1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
CID 36545531
2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224522
1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide
CID 134047590
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439726
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
N-(5-acetamido-2-methylphenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439155
N-[1-(3-chlorophenyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 110444472
1-N'-(3-chloro-2-methylphenyl)-1-N-[4-(dimethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982657

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide (CID 110439132) is 1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide is CN(C)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is BMKSXZJSZDAUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-21(2)16-8-6-15(7-9-16)20-17(22)18(10-11-18)13-4-3-5-14(19)12-13/h3-9,12H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 314.82 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 110439132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).