(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide

C13H18ClNO — CID 2466708

IUPAC(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
SMILESCCC[C@H](NC(=O)[C@@H](C)Cl)c1ccccc1
InChIInChI=1S/C13H18ClNO/c1-3-7-12(15-13(16)10(2)14)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3,(H,15,16)/t10-,12+/m1/s1
InChIKeyLCCLCMWOMXHIQV-PWSUYJOCSA-N
MW239.75 g/mol
LogP3.27
Rot. Bonds5

About (2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide

(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide (PubChem CID 2466708) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
PubChem CID2466708
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
SMILESCCC[C@H](NC(=O)[C@@H](C)Cl)c1ccccc1
InChIInChI=1S/C13H18ClNO/c1-3-7-12(15-13(16)10(2)14)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3,(H,15,16)/t10-,12+/m1/s1
InChIKeyLCCLCMWOMXHIQV-PWSUYJOCSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1-phenylpropyl)pentanamide
CID 165438595
2-[ethyl(methyl)amino]-N-(1-phenylbutyl)propanamide
CID 60516767
1-phenylbutylurea
CID 2852079
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
(2S)-N-benzhydryl-2-chloropropanamide
CID 2113355
(2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide
CID 9276310
2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide
CID 134030963
(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide
CID 8914313
N-(2-bromo-1-phenylethyl)-2-propylpentanamide
CID 82987102
4-(2-methylbutanoylamino)-4-phenylbutanoic acid
CID 60825193
(2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 29440220
N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46810322

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide (CID 2466708) is (2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide is CCC[C@H](NC(=O)[C@@H](C)Cl)c1ccccc1.
What is the InChIKey of (2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide?
The InChIKey is LCCLCMWOMXHIQV-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-3-7-12(15-13(16)10(2)14)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3,(H,15,16)/t10-,12+/m1/s1.
What are the key properties of (2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide?
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide has a molecular weight of 239.75 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide is sourced from PubChem (CID 2466708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).