N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide

C18H18ClNO — CID 26071120

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO/c1-13(14-7-9-16(19)10-8-14)20-17(21)18(11-12-18)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyMVKAULFETMYNCM-CYBMUJFWSA-N
MW299.80 g/mol
LogP4.25
Rot. Bonds4

About N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 26071120) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID26071120
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO/c1-13(14-7-9-16(19)10-8-14)20-17(21)18(11-12-18)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyMVKAULFETMYNCM-CYBMUJFWSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 55368369
N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 33361071
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[4-(4-fluorophenyl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527736
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
1-[1-(4-chlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095918
N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 133165833
1-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51199191
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023
N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 2539147
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide (CID 26071120) is N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide is C[C@@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is MVKAULFETMYNCM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-13(14-7-9-16(19)10-8-14)20-17(21)18(11-12-18)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 26071120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).