4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide

C19H23FN2O — CID 118778152

IUPAC4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide
SMILESCCC(NC(=O)CCCc1ccc(F)cc1)c1cccc(C)n1
InChIInChI=1S/C19H23FN2O/c1-3-17(18-8-4-6-14(2)21-18)22-19(23)9-5-7-15-10-12-16(20)13-11-15/h4,6,8,10-13,17H,3,5,7,9H2,1-2H3,(H,22,23)
InChIKeyDSBJPBNPPSSXNS-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.12
Rot. Bonds7

About 4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide

4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide (PubChem CID 118778152) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide
PubChem CID118778152
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide
SMILESCCC(NC(=O)CCCc1ccc(F)cc1)c1cccc(C)n1
InChIInChI=1S/C19H23FN2O/c1-3-17(18-8-4-6-14(2)21-18)22-19(23)9-5-7-15-10-12-16(20)13-11-15/h4,6,8,10-13,17H,3,5,7,9H2,1-2H3,(H,22,23)
InChIKeyDSBJPBNPPSSXNS-UHFFFAOYSA-N
XLogP4.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide
CID 91792461
4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide
CID 126441988
4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide
CID 110307382
N-(1-chlorobutan-2-yl)-4-phenylbutanamide
CID 114294201
2-[4-(4-fluorophenyl)butanoylamino]butanedioic acid
CID 82224351
N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42510383
4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide
CID 166253146
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
2-(4-butylphenyl)-N-(6-methyl-2-pyridinyl)acetamide
CID 46651760
N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide
CID 22261775
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide (CID 118778152) is 4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide is CCC(NC(=O)CCCc1ccc(F)cc1)c1cccc(C)n1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide?
The InChIKey is DSBJPBNPPSSXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-3-17(18-8-4-6-14(2)21-18)22-19(23)9-5-7-15-10-12-16(20)13-11-15/h4,6,8,10-13,17H,3,5,7,9H2,1-2H3,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide?
4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide has a molecular weight of 314.40 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide is sourced from PubChem (CID 118778152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).