N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide

C15H21ClFNO — CID 107157057

IUPACN-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide
SMILESCC(C)(C)CC(Cl)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H21ClFNO/c1-15(2,3)9-12(16)10-18-14(19)8-11-5-4-6-13(17)7-11/h4-7,12H,8-10H2,1-3H3,(H,18,19)
InChIKeyPMJNWOQSPUUJNJ-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.53
Rot. Bonds5

About N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide

N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide (PubChem CID 107157057) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide
PubChem CID107157057
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC NameN-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide
SMILESCC(C)(C)CC(Cl)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H21ClFNO/c1-15(2,3)9-12(16)10-18-14(19)8-11-5-4-6-13(17)7-11/h4-7,12H,8-10H2,1-3H3,(H,18,19)
InChIKeyPMJNWOQSPUUJNJ-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.53
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

N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide
CID 107156883
methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493227
2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899330
2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 78800383
4-[[2-(3-fluorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002331
N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide
CID 63767831
2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474342
4,4-dimethyl-2-[[[2-(3-methylphenyl)acetyl]amino]methyl]pentanoic acid
CID 107473898
N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
CID 106118115
1-(3-fluorophenyl)-6,6-dimethylheptane-2,4-dione
CID 58474328
N-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119607062
6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid
CID 65284126

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide (CID 107157057) is N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide is CC(C)(C)CC(Cl)CNC(=O)Cc1cccc(F)c1.
What is the InChIKey of N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide?
The InChIKey is PMJNWOQSPUUJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-15(2,3)9-12(16)10-18-14(19)8-11-5-4-6-13(17)7-11/h4-7,12H,8-10H2,1-3H3,(H,18,19).
What are the key properties of N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide?
N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide has a molecular weight of 285.79 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 107157057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).