2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide

C10H11Cl2NO2 — CID 107621348

IUPAC2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(C)Cl)ccc1Cl
InChIInChI=1S/C10H11Cl2NO2/c1-6(11)10(14)13-7-3-4-8(12)9(5-7)15-2/h3-6H,1-2H3,(H,13,14)
InChIKeyPYKKGRPEUFUDDD-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.91
Rot. Bonds3

About 2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide

2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide (PubChem CID 107621348) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
PubChem CID107621348
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(C)Cl)ccc1Cl
InChIInChI=1S/C10H11Cl2NO2/c1-6(11)10(14)13-7-3-4-8(12)9(5-7)15-2/h3-6H,1-2H3,(H,13,14)
InChIKeyPYKKGRPEUFUDDD-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.91
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

2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919
2-chloro-5-(2-chloropropanoylamino)benzoic acid
CID 43701854
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 107622734
(2S)-2-amino-N-(4-chloro-3-methoxyphenyl)-4-methylsulfanylbutanamide
CID 107621717
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide
CID 143179500
N-(4-chloro-3-methoxyphenyl)-4-(methylamino)benzamide
CID 107623041
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
N-[(4-bromo-3-methoxyphenyl)carbamoyl]-2-chloropropanamide
CID 82860607
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 99841259

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide (CID 107621348) is 2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide is COc1cc(NC(=O)C(C)Cl)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide?
The InChIKey is PYKKGRPEUFUDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-6(11)10(14)13-7-3-4-8(12)9(5-7)15-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide?
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide has a molecular weight of 248.11 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide is sourced from PubChem (CID 107621348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).