3-chloro-2-phenylpropanamide

C9H10ClNO — CID 123321549

IUPAC3-chloro-2-phenylpropanamide
SMILESNC(=O)C(CCl)c1ccccc1
InChIInChI=1S/C9H10ClNO/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12)
InChIKeyYKUCSGQAUSLJMR-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.49
Rot. Bonds3

About 3-chloro-2-phenylpropanamide

3-chloro-2-phenylpropanamide (PubChem CID 123321549) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 3-chloro-2-phenylpropanamide.

Molecular Properties

Compound Name3-chloro-2-phenylpropanamide
PubChem CID123321549
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name3-chloro-2-phenylpropanamide
SMILESNC(=O)C(CCl)c1ccccc1
InChIInChI=1S/C9H10ClNO/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12)
InChIKeyYKUCSGQAUSLJMR-UHFFFAOYSA-N
XLogP1.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.49
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

(2R)-2-phenylbutanamide
CID 139147476
(2S)-2-phenyl-3-phenylsulfanylpropanamide
CID 59979029
5-oxo-2-phenylpentanamide
CID 154070260
2-phenylheptanamide
CID 67221214
2-phenyl-2-sulfanylacetamide
CID 19419425
2-(4-aminophenyl)-3-phenylpropanamide
CID 82020975
4-amino-4-imino-2-phenylbutanoic acid
CID 139654605
3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one
CID 70489362
2-(chloroamino)-2-phenylacetamide
CID 89152727
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
3-(3-methylphenyl)-2-phenylpropanamide
CID 123295994
2-hydroxy-2-phenylacetamide;hydrochloride
CID 67718904

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-phenylpropanamide?
The IUPAC name of 3-chloro-2-phenylpropanamide (CID 123321549) is 3-chloro-2-phenylpropanamide.
What is the SMILES notation for 3-chloro-2-phenylpropanamide?
The canonical SMILES for 3-chloro-2-phenylpropanamide is NC(=O)C(CCl)c1ccccc1.
What is the InChIKey of 3-chloro-2-phenylpropanamide?
The InChIKey is YKUCSGQAUSLJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12).
What are the key properties of 3-chloro-2-phenylpropanamide?
3-chloro-2-phenylpropanamide has a molecular weight of 183.64 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-phenylpropanamide is sourced from PubChem (CID 123321549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).