1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one

C14H19ClFNO — CID 114863253

IUPAC1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one
SMILESCC(C)NCCCC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C14H19ClFNO/c1-10(2)17-7-3-4-13(18)8-11-5-6-12(15)9-14(11)16/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeyMTLJPWAANPXWHI-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.37
Rot. Bonds7

About 1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one

1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one (PubChem CID 114863253) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one
PubChem CID114863253
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one
SMILESCC(C)NCCCC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C14H19ClFNO/c1-10(2)17-7-3-4-13(18)8-11-5-6-12(15)9-14(11)16/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeyMTLJPWAANPXWHI-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-difluorophenyl)-5-(propan-2-ylamino)pentan-2-one
CID 116558289
1-(3,5-difluorophenyl)-5-(propan-2-ylamino)pentan-2-one
CID 105411897
3-[(4-chloro-2-fluorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 114850573
1-(4-chloro-2-fluorophenyl)-4-methoxybutan-2-one
CID 114853710
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one
CID 114863220
N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine
CID 82471422
5-amino-1-(4-chloro-2-fluorophenyl)-5-methylhexan-2-one
CID 114863343
1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one
CID 116558152
1-(2-chloro-6-fluorophenyl)-4-(propan-2-ylamino)butan-2-one
CID 116556368
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-(propan-2-ylamino)pentan-2-one
CID 116558182
1-(4-tert-butylphenyl)-5-(propan-2-ylamino)pentan-2-one
CID 116558232
4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one
CID 114863569

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one (CID 114863253) is 1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one is CC(C)NCCCC(=O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one?
The InChIKey is MTLJPWAANPXWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-10(2)17-7-3-4-13(18)8-11-5-6-12(15)9-14(11)16/h5-6,9-10,17H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one?
1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one has a molecular weight of 271.76 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one is sourced from PubChem (CID 114863253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).