N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide

C18H19ClN2O — CID 110444402

IUPACN-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H19ClN2O/c1-21(2)16-5-3-4-13(12-16)17(22)20-18(10-11-18)14-6-8-15(19)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyJBHPEXSKCPHYTC-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.83
Rot. Bonds4

About N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide

N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide (PubChem CID 110444402) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide
PubChem CID110444402
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC NameN-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H19ClN2O/c1-21(2)16-5-3-4-13(12-16)17(22)20-18(10-11-18)14-6-8-15(19)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyJBHPEXSKCPHYTC-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
CID 110441479
N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide
CID 35709086
N-[1-(3-chlorophenyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 110444472
N-[1-(4-chlorophenyl)cyclopropyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 56788161
N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444802
N-(2,5-dichlorophenyl)-3-(dimethylamino)benzamide
CID 690506
N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide
CID 113091060
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
(E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 110440837
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide
CID 26184751
[1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid
CID 129115468
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide (CID 110444402) is N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide?
The InChIKey is JBHPEXSKCPHYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-21(2)16-5-3-4-13(12-16)17(22)20-18(10-11-18)14-6-8-15(19)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide?
N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide has a molecular weight of 314.82 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 110444402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).