N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide

C15H21ClFNO — CID 71107591

IUPACN-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide
SMILESCCCC(=O)N(c1ccc(F)c(Cl)c1)C(CC)CC
InChIInChI=1S/C15H21ClFNO/c1-4-7-15(19)18(11(5-2)6-3)12-8-9-14(17)13(16)10-12/h8-11H,4-7H2,1-3H3
InChIKeyPXQQVHYKUGRRNS-UHFFFAOYSA-N
MW285.79 g/mol
LogP4.80
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide

N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide (PubChem CID 71107591) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide
PubChem CID71107591
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide
SMILESCCCC(=O)N(c1ccc(F)c(Cl)c1)C(CC)CC
InChIInChI=1S/C15H21ClFNO/c1-4-7-15(19)18(11(5-2)6-3)12-8-9-14(17)13(16)10-12/h8-11H,4-7H2,1-3H3
InChIKeyPXQQVHYKUGRRNS-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide
CID 71106690
2-[(3-chloro-4-fluoro-N-methylanilino)methyl]butanoic acid
CID 115249832
2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide
CID 28794782
3-(N-butyl-3-chloro-4-fluoroanilino)propanoic acid
CID 82317933
1-(3-chloro-4-fluorophenyl)butan-1-one
CID 63093976
3-(3-chloro-4-fluoro-N-pentylanilino)propanoic acid
CID 82318103
4-amino-N-(3-chloro-4-fluorophenyl)-N,3-dimethylbutanamide
CID 115156319
N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide
CID 71199172
2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoic acid;ethyl 2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate;methyl 2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate
CID 161491818
N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113144275
3-[N-(2-carboxyethyl)-3-chloro-4-fluoroanilino]-2-methylpropanoic acid
CID 82319440
(E)-4-(3-chloro-4-fluoro-N-methylanilino)but-2-enoic acid
CID 115237024

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide (CID 71107591) is N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide is CCCC(=O)N(c1ccc(F)c(Cl)c1)C(CC)CC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide?
The InChIKey is PXQQVHYKUGRRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-4-7-15(19)18(11(5-2)6-3)12-8-9-14(17)13(16)10-12/h8-11H,4-7H2,1-3H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide?
N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide has a molecular weight of 285.79 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide is sourced from PubChem (CID 71107591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).