2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide

C14H18Cl2FNO — CID 106156758

IUPAC2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide
SMILESCC(CCl)CCCNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H18Cl2FNO/c1-10(9-15)4-3-7-18-14(19)8-11-12(16)5-2-6-13(11)17/h2,5-6,10H,3-4,7-9H2,1H3,(H,18,19)
InChIKeyVGTPIXJQKGQRPB-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.79
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide (PubChem CID 106156758) has the molecular formula C14H18Cl2FNO and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide
PubChem CID106156758
Molecular FormulaC14H18Cl2FNO
Molecular Weight306.21 g/mol
Exact Mass305.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide
SMILESCC(CCl)CCCNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H18Cl2FNO/c1-10(9-15)4-3-7-18-14(19)8-11-12(16)5-2-6-13(11)17/h2,5-6,10H,3-4,7-9H2,1H3,(H,18,19)
InChIKeyVGTPIXJQKGQRPB-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylpentanoic acid
CID 104682499
N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 63253339
N-(5-amino-4-methylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 106152815
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 132964109
2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide
CID 107322545
4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-methylbutanoic acid
CID 81063329
N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 114151356
N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide
CID 106157251
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid
CID 114144294
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide
CID 111662700
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide (CID 106156758) is 2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide is CC(CCl)CCCNC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide?
The InChIKey is VGTPIXJQKGQRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FNO/c1-10(9-15)4-3-7-18-14(19)8-11-12(16)5-2-6-13(11)17/h2,5-6,10H,3-4,7-9H2,1H3,(H,18,19).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide has a molecular weight of 306.21 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide is sourced from PubChem (CID 106156758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).