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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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).