2-chloro-3-(3-chloro-2-methylphenyl)propanamide

C10H11Cl2NO — CID 82054509

IUPAC2-chloro-3-(3-chloro-2-methylphenyl)propanamide
SMILESCc1c(Cl)cccc1CC(Cl)C(N)=O
InChIInChI=1S/C10H11Cl2NO/c1-6-7(3-2-4-8(6)11)5-9(12)10(13)14/h2-4,9H,5H2,1H3,(H2,13,14)
InChIKeyLVWGTUOJEZRYDX-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.28
Rot. Bonds3

About 2-chloro-3-(3-chloro-2-methylphenyl)propanamide

2-chloro-3-(3-chloro-2-methylphenyl)propanamide (PubChem CID 82054509) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-chloro-3-(3-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-chloro-3-(3-chloro-2-methylphenyl)propanamide
PubChem CID82054509
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2-chloro-3-(3-chloro-2-methylphenyl)propanamide
SMILESCc1c(Cl)cccc1CC(Cl)C(N)=O
InChIInChI=1S/C10H11Cl2NO/c1-6-7(3-2-4-8(6)11)5-9(12)10(13)14/h2-4,9H,5H2,1H3,(H2,13,14)
InChIKeyLVWGTUOJEZRYDX-UHFFFAOYSA-N
XLogP2.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.28
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

3-chloro-4-(3-chloro-2-methylphenyl)butan-2-one
CID 82054505
2-chloro-3-(2-chloro-5-methylphenyl)propanamide
CID 107627819
(3-chloro-2-methylphenyl)methylurea
CID 118069885
2-chloro-3-(2-iodophenyl)propanamide
CID 104513226
(2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100536256
3-(1-benzothiophen-7-yl)-2-chloropropanamide
CID 130770729
3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133245475
(2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanoic acid
CID 100536619
2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid
CID 123817311
(2S)-3-(3-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
CID 94711129
2-bromo-3-(3-chloro-2-fluorophenyl)propanamide
CID 104513002
(2S)-3-(3-chloro-2-methylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100536437

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-chloro-2-methylphenyl)propanamide?
The IUPAC name of 2-chloro-3-(3-chloro-2-methylphenyl)propanamide (CID 82054509) is 2-chloro-3-(3-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 2-chloro-3-(3-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 2-chloro-3-(3-chloro-2-methylphenyl)propanamide is Cc1c(Cl)cccc1CC(Cl)C(N)=O.
What is the InChIKey of 2-chloro-3-(3-chloro-2-methylphenyl)propanamide?
The InChIKey is LVWGTUOJEZRYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-6-7(3-2-4-8(6)11)5-9(12)10(13)14/h2-4,9H,5H2,1H3,(H2,13,14).
What are the key properties of 2-chloro-3-(3-chloro-2-methylphenyl)propanamide?
2-chloro-3-(3-chloro-2-methylphenyl)propanamide has a molecular weight of 232.11 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 82054509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).