N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide

C15H20ClNO2 — CID 18659979

IUPACN-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H20ClNO2/c1-3-4-15(18)17-9-11-7-12(11)10-5-6-13(16)14(8-10)19-2/h5-6,8,11-12H,3-4,7,9H2,1-2H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyLZLJNOIJPPNEKM-RYUDHWBXSA-N
MW281.78 g/mol
LogP3.37
Rot. Bonds6

About N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide

N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide (PubChem CID 18659979) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide
PubChem CID18659979
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H20ClNO2/c1-3-4-15(18)17-9-11-7-12(11)10-5-6-13(16)14(8-10)19-2/h5-6,8,11-12H,3-4,7,9H2,1-2H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyLZLJNOIJPPNEKM-RYUDHWBXSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81017506
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
CID 113001547
N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide
CID 70274491
2-(4-chloro-3-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 81021525
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide
CID 54785381
N-[[(1R,2R)-2-(2-dodecan-3-yloxyphenyl)cyclopropyl]methyl]butanamide
CID 70274375
1-(4-chloro-3-methoxyphenyl)pentan-1-one
CID 79701046
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
CID 79697517
tert-butyl N-[[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methyl]carbamate
CID 68923896
methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95245166

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide?
The IUPAC name of N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide (CID 18659979) is N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide.
What is the SMILES notation for N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide?
The canonical SMILES for N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide is CCCC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)c(OC)c1.
What is the InChIKey of N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide?
The InChIKey is LZLJNOIJPPNEKM-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-3-4-15(18)17-9-11-7-12(11)10-5-6-13(16)14(8-10)19-2/h5-6,8,11-12H,3-4,7,9H2,1-2H3,(H,17,18)/t11-,12-/m0/s1.
What are the key properties of N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide?
N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide has a molecular weight of 281.78 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide is sourced from PubChem (CID 18659979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).