N-[(3-chloro-2-fluorophenyl)methyl]pentanamide

C12H15ClFNO — CID 156569845

IUPACN-[(3-chloro-2-fluorophenyl)methyl]pentanamide
SMILESCCCCC(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFNO/c1-2-3-7-11(16)15-8-9-5-4-6-10(13)12(9)14/h4-6H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyNFSAIVRSXDWVLY-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.29
Rot. Bonds5

About N-[(3-chloro-2-fluorophenyl)methyl]pentanamide

N-[(3-chloro-2-fluorophenyl)methyl]pentanamide (PubChem CID 156569845) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]pentanamide
PubChem CID156569845
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]pentanamide
SMILESCCCCC(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFNO/c1-2-3-7-11(16)15-8-9-5-4-6-10(13)12(9)14/h4-6H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyNFSAIVRSXDWVLY-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]pentanamide
CID 110730308
N-[(2-hydroxyphenyl)methyl]octadecanamide
CID 154122787
N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide
CID 130299585
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide
CID 130300052
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide
CID 166957676
N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
CID 115695815
(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide
CID 130299690
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide
CID 130299685

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]pentanamide?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]pentanamide (CID 156569845) is N-[(3-chloro-2-fluorophenyl)methyl]pentanamide.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]pentanamide?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]pentanamide is CCCCC(=O)NCc1cccc(Cl)c1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]pentanamide?
The InChIKey is NFSAIVRSXDWVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-2-3-7-11(16)15-8-9-5-4-6-10(13)12(9)14/h4-6H,2-3,7-8H2,1H3,(H,15,16).
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]pentanamide?
N-[(3-chloro-2-fluorophenyl)methyl]pentanamide has a molecular weight of 243.71 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]pentanamide is sourced from PubChem (CID 156569845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).