2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide

C9H7Cl3FNO — CID 83078635

IUPAC2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide
SMILESCC(Cl)C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C9H7Cl3FNO/c1-4(10)9(15)14-8-6(11)2-5(13)3-7(8)12/h2-4H,1H3,(H,14,15)
InChIKeyVCBQKVFHBPRODO-UHFFFAOYSA-N
MW270.52 g/mol
LogP3.70
Rot. Bonds2

About 2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide

2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide (PubChem CID 83078635) has the molecular formula C9H7Cl3FNO and a molecular weight of 270.52 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide
PubChem CID83078635
Molecular FormulaC9H7Cl3FNO
Molecular Weight270.52 g/mol
Exact Mass268.96
IUPAC Name2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide
SMILESCC(Cl)C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C9H7Cl3FNO/c1-4(10)9(15)14-8-6(11)2-5(13)3-7(8)12/h2-4H,1H3,(H,14,15)
InChIKeyVCBQKVFHBPRODO-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.52
LogP ≤ 53.70
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

(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide
CID 83079399
N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide
CID 83078688
1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea
CID 116657360
(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide
CID 107146373
3-amino-N-(2-chloro-4,6-difluorophenyl)-2-methyl-3-sulfanylidenepropanamide
CID 83088109
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide
CID 83079089
(2R)-2-[(2,6-dichloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 83079335
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83088281
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83087285
1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea
CID 115871702

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide?
The IUPAC name of 2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide (CID 83078635) is 2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide?
The canonical SMILES for 2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide is CC(Cl)C(=O)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide?
The InChIKey is VCBQKVFHBPRODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3FNO/c1-4(10)9(15)14-8-6(11)2-5(13)3-7(8)12/h2-4H,1H3,(H,14,15).
What are the key properties of 2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide?
2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide has a molecular weight of 270.52 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 83078635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).