N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide

C13H18ClNO2 — CID 106182256

IUPACN-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide
SMILESCOCC(CCl)NC(=O)C(C)c1ccccc1
InChIInChI=1S/C13H18ClNO2/c1-10(11-6-4-3-5-7-11)13(16)15-12(8-14)9-17-2/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)
InChIKeyKGLBTZFFGJXPOZ-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.16
Rot. Bonds6

About N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide

N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide (PubChem CID 106182256) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide
PubChem CID106182256
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide
SMILESCOCC(CCl)NC(=O)C(C)c1ccccc1
InChIInChI=1S/C13H18ClNO2/c1-10(11-6-4-3-5-7-11)13(16)15-12(8-14)9-17-2/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)
InChIKeyKGLBTZFFGJXPOZ-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide
CID 106183441
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
(2R)-N-methoxy-2-phenylpropanamide
CID 131067254
(2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide
CID 104897960
3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706806
4-[[(2S)-2-phenylpropanoyl]amino]pentanoic acid
CID 120689373
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
(2S)-4-methyl-2-(2-phenylpropanoylamino)pentanoic acid
CID 114028706
(2S)-3-methoxy-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid
CID 68530815
(2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 118730013
N-(1-chloro-3-methoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 106183507
N-(4-chloro-1-methoxybutan-2-yl)benzamide
CID 106154813

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide (CID 106182256) is N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide is COCC(CCl)NC(=O)C(C)c1ccccc1.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide?
The InChIKey is KGLBTZFFGJXPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10(11-6-4-3-5-7-11)13(16)15-12(8-14)9-17-2/h3-7,10,12H,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide?
N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide has a molecular weight of 255.74 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide is sourced from PubChem (CID 106182256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).