3-chloro-N-(1-phenylpropan-2-yl)propanamide

C12H16ClNO — CID 3550913

IUPAC3-chloro-N-(1-phenylpropan-2-yl)propanamide
SMILESCC(Cc1ccccc1)NC(=O)CCCl
InChIInChI=1S/C12H16ClNO/c1-10(14-12(15)7-8-13)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,15)
InChIKeyWLUXBQWZVWMKCR-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.36
Rot. Bonds5

About 3-chloro-N-(1-phenylpropan-2-yl)propanamide

3-chloro-N-(1-phenylpropan-2-yl)propanamide (PubChem CID 3550913) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-N-(1-phenylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(1-phenylpropan-2-yl)propanamide
PubChem CID3550913
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-chloro-N-(1-phenylpropan-2-yl)propanamide
SMILESCC(Cc1ccccc1)NC(=O)CCCl
InChIInChI=1S/C12H16ClNO/c1-10(14-12(15)7-8-13)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,15)
InChIKeyWLUXBQWZVWMKCR-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.36
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

N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 54852739
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
CID 138397977
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 51948784
4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide
CID 82109331
tert-butyl 4-oxo-4-(1-phenylpropan-2-ylamino)butanoate
CID 106707409
3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]propanamide
CID 54867469
4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 63308194
2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 89079838
N-(1-phenylpropan-2-yl)-2-phenylsulfanylacetamide
CID 142934157

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-phenylpropan-2-yl)propanamide?
The IUPAC name of 3-chloro-N-(1-phenylpropan-2-yl)propanamide (CID 3550913) is 3-chloro-N-(1-phenylpropan-2-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(1-phenylpropan-2-yl)propanamide?
The canonical SMILES for 3-chloro-N-(1-phenylpropan-2-yl)propanamide is CC(Cc1ccccc1)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-(1-phenylpropan-2-yl)propanamide?
The InChIKey is WLUXBQWZVWMKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-10(14-12(15)7-8-13)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,15).
What are the key properties of 3-chloro-N-(1-phenylpropan-2-yl)propanamide?
3-chloro-N-(1-phenylpropan-2-yl)propanamide has a molecular weight of 225.72 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-phenylpropan-2-yl)propanamide is sourced from PubChem (CID 3550913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).