N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide

C21H25FN2O3 — CID 110615569

IUPACN-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NC(C)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C21H25FN2O3/c1-15(21(26)24-19-9-5-4-8-18(19)22)23-20(25)10-6-3-7-16-11-13-17(27-2)14-12-16/h4-5,8-9,11-15H,3,6-7,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZCMRKXXJFRCHLX-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.69
Rot. Bonds9

About N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide

N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide (PubChem CID 110615569) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide.

Molecular Properties

Compound NameN-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide
PubChem CID110615569
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NC(C)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C21H25FN2O3/c1-15(21(26)24-19-9-5-4-8-18(19)22)23-20(25)10-6-3-7-16-11-13-17(27-2)14-12-16/h4-5,8-9,11-15H,3,6-7,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZCMRKXXJFRCHLX-UHFFFAOYSA-N
XLogP3.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide 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-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide
CID 86788796
5-(4-fluorophenyl)-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110304419
N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide
CID 48980503
3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
CID 52505851
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
N-formyl-5-(4-methoxyphenyl)pentanamide
CID 164557203
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
5-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]pentanamide
CID 94661779
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
(2S)-2-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoic acid
CID 94966651
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide?
The IUPAC name of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide (CID 110615569) is N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide.
What is the SMILES notation for N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide?
The canonical SMILES for N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide is COc1ccc(CCCCC(=O)NC(C)C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide?
The InChIKey is ZCMRKXXJFRCHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-15(21(26)24-19-9-5-4-8-18(19)22)23-20(25)10-6-3-7-16-11-13-17(27-2)14-12-16/h4-5,8-9,11-15H,3,6-7,10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide?
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide has a molecular weight of 372.44 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide is sourced from PubChem (CID 110615569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).