N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide

C16H22ClNO — CID 159264304

IUPACN-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide
SMILESCCCC(CC)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H22ClNO/c1-3-6-11(4-2)16(19)18-15-10-14(15)12-7-5-8-13(17)9-12/h5,7-9,11,14-15H,3-4,6,10H2,1-2H3,(H,18,19)/t11?,14-,15+/m0/s1
InChIKeyKWXDRDODXBJAMN-YUIIUQSRSA-N
MW279.81 g/mol
LogP4.14
Rot. Bonds6

About N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide

N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide (PubChem CID 159264304) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide
PubChem CID159264304
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide
SMILESCCCC(CC)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H22ClNO/c1-3-6-11(4-2)16(19)18-15-10-14(15)12-7-5-8-13(17)9-12/h5,7-9,11,14-15H,3-4,6,10H2,1-2H3,(H,18,19)/t11?,14-,15+/m0/s1
InChIKeyKWXDRDODXBJAMN-YUIIUQSRSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea
CID 111456067
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111772039
3-[[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122012885
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359275
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 95775493
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide
CID 122149915
1-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]urea
CID 99810588
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]urea
CID 99810586
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-(4-methyl-1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 136582922
(3S,4S)-1-[[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122012883
2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide
CID 131862373
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979109

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide?
The IUPAC name of N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide (CID 159264304) is N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide.
What is the SMILES notation for N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide?
The canonical SMILES for N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide is CCCC(CC)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1.
What is the InChIKey of N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide?
The InChIKey is KWXDRDODXBJAMN-YUIIUQSRSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-3-6-11(4-2)16(19)18-15-10-14(15)12-7-5-8-13(17)9-12/h5,7-9,11,14-15H,3-4,6,10H2,1-2H3,(H,18,19)/t11?,14-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide?
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide has a molecular weight of 279.81 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide is sourced from PubChem (CID 159264304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).