2-chloro-3-(2,4-dichlorophenyl)propanamide

C9H8Cl3NO — CID 82054649

IUPAC2-chloro-3-(2,4-dichlorophenyl)propanamide
SMILESNC(=O)C(Cl)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3NO/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3H2,(H2,13,14)
InChIKeyKHHAGKHXVWYXKV-UHFFFAOYSA-N
MW252.53 g/mol
LogP2.63
Rot. Bonds3

About 2-chloro-3-(2,4-dichlorophenyl)propanamide

2-chloro-3-(2,4-dichlorophenyl)propanamide (PubChem CID 82054649) has the molecular formula C9H8Cl3NO and a molecular weight of 252.53 g/mol. Its IUPAC name is 2-chloro-3-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-chloro-3-(2,4-dichlorophenyl)propanamide
PubChem CID82054649
Molecular FormulaC9H8Cl3NO
Molecular Weight252.53 g/mol
Exact Mass250.97
IUPAC Name2-chloro-3-(2,4-dichlorophenyl)propanamide
SMILESNC(=O)C(Cl)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3NO/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3H2,(H2,13,14)
InChIKeyKHHAGKHXVWYXKV-UHFFFAOYSA-N
XLogP2.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.53
LogP ≤ 52.63
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-3-(2,4-dichlorophenyl)propanoyl chloride
CID 21488826
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-chloro-3-(2-chloro-5-methylphenyl)propanamide
CID 107627819
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride
CID 90028549
methyl 2-[(2,4-dichlorophenyl)methyl]-3-oxobutanoate
CID 138755721
4-(2,4-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81008936
2-chloro-3-(3-chloro-2-methylphenyl)propanamide
CID 82054509
3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid
CID 79436659
(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid
CID 99924303
2-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylpentan-3-one
CID 13034852
(2S)-2-[(2,4-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 67497383

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 2-chloro-3-(2,4-dichlorophenyl)propanamide (CID 82054649) is 2-chloro-3-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 2-chloro-3-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 2-chloro-3-(2,4-dichlorophenyl)propanamide is NC(=O)C(Cl)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-3-(2,4-dichlorophenyl)propanamide?
The InChIKey is KHHAGKHXVWYXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3NO/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3H2,(H2,13,14).
What are the key properties of 2-chloro-3-(2,4-dichlorophenyl)propanamide?
2-chloro-3-(2,4-dichlorophenyl)propanamide has a molecular weight of 252.53 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 82054649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).