N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide

C15H20ClNO — CID 97014434

IUPACN-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@H]1C[C@@H]1c1ccccc1Cl
InChIInChI=1S/C15H20ClNO/c1-10(2)7-8-15(18)17-14-9-12(14)11-5-3-4-6-13(11)16/h3-6,10,12,14H,7-9H2,1-2H3,(H,17,18)/t12-,14+/m1/s1
InChIKeyKMVLOOXXHJYPCY-OCCSQVGLSA-N
MW265.78 g/mol
LogP3.75
Rot. Bonds5

About N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide

N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide (PubChem CID 97014434) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide
PubChem CID97014434
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@H]1C[C@@H]1c1ccccc1Cl
InChIInChI=1S/C15H20ClNO/c1-10(2)7-8-15(18)17-14-9-12(14)11-5-3-4-6-13(11)16/h3-6,10,12,14H,7-9H2,1-2H3,(H,17,18)/t12-,14+/m1/s1
InChIKeyKMVLOOXXHJYPCY-OCCSQVGLSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90019460
N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90020152
N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 95294622
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(4-fluorophenyl)acetamide
CID 166359293
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359291
(2R)-N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(2-ethoxyethoxy)propanamide
CID 124826238
N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide
CID 95295464
1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 95309946
(2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694375
N-[2-(2-chlorophenyl)cyclopropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 71880321
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide
CID 114312813
(2S)-2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119362074

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide?
The IUPAC name of N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide (CID 97014434) is N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide.
What is the SMILES notation for N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide?
The canonical SMILES for N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide is CC(C)CCC(=O)N[C@H]1C[C@@H]1c1ccccc1Cl.
What is the InChIKey of N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide?
The InChIKey is KMVLOOXXHJYPCY-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-10(2)7-8-15(18)17-14-9-12(14)11-5-3-4-6-13(11)16/h3-6,10,12,14H,7-9H2,1-2H3,(H,17,18)/t12-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide?
N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide has a molecular weight of 265.78 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide is sourced from PubChem (CID 97014434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).