4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide

C14H19ClFNO — CID 63307815

IUPAC4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
SMILESCC(C)C(NC(=O)CCCCl)c1ccc(F)cc1
InChIInChI=1S/C14H19ClFNO/c1-10(2)14(17-13(18)4-3-9-15)11-5-7-12(16)8-6-11/h5-8,10,14H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyRLCGZYOTJRURBD-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.66
Rot. Bonds6

About 4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide

4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide (PubChem CID 63307815) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
PubChem CID63307815
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
SMILESCC(C)C(NC(=O)CCCCl)c1ccc(F)cc1
InChIInChI=1S/C14H19ClFNO/c1-10(2)14(17-13(18)4-3-9-15)11-5-7-12(16)8-6-11/h5-8,10,14H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyRLCGZYOTJRURBD-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.66
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-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 79201421
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
CID 60708185
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 63308194
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide
CID 24625565
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 18200777
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51955789
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119272369
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
The IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide (CID 63307815) is 4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide.
What is the SMILES notation for 4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
The canonical SMILES for 4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide is CC(C)C(NC(=O)CCCCl)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
The InChIKey is RLCGZYOTJRURBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-10(2)14(17-13(18)4-3-9-15)11-5-7-12(16)8-6-11/h5-8,10,14H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide has a molecular weight of 271.76 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide is sourced from PubChem (CID 63307815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).