N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide

C24H31FN4O2 — CID 143531645

IUPACN-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(NC(=O)NCCCCN3CCCCC3)c(F)c2)c1
InChIInChI=1S/C24H31FN4O2/c1-18(30)27-21-9-7-8-19(16-21)20-10-11-23(22(25)17-20)28-24(31)26-12-3-6-15-29-13-4-2-5-14-29/h7-11,16-17H,2-6,12-15H2,1H3,(H,27,30)(H2,26,28,31)
InChIKeyIAMSLNCUPVLBPP-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.84
Rot. Bonds8

About N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide

N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide (PubChem CID 143531645) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
PubChem CID143531645
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC NameN-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(NC(=O)NCCCCN3CCCCC3)c(F)c2)c1
InChIInChI=1S/C24H31FN4O2/c1-18(30)27-21-9-7-8-19(16-21)20-10-11-23(22(25)17-20)28-24(31)26-12-3-6-15-29-13-4-2-5-14-29/h7-11,16-17H,2-6,12-15H2,1H3,(H,27,30)(H2,26,28,31)
InChIKeyIAMSLNCUPVLBPP-UHFFFAOYSA-N
XLogP4.84
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide 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

N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
CID 143531621
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143531596
1-(3-nitrophenyl)-3-(3-piperidin-1-ylpropyl)urea
CID 24626894
N-[4-(3-acetamidophenyl)phenyl]-5-(4-acetyl-1,4-diazepan-1-yl)pentanamide
CID 59840247
1-(4-bromophenyl)-3-(4-piperidin-1-ylbutyl)urea
CID 46831360
1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea
CID 59152408
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 87006985
5-acetamido-N-[3-(azepan-1-yl)propyl]-2-(methanesulfonamido)benzamide
CID 56579751
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-[4-[3-(prop-1-en-2-ylamino)phenyl]phenyl]urea
CID 59840365
1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 74241065
N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
CID 61494179
1-(3-acetylphenyl)-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393282

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide (CID 143531645) is N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc(NC(=O)NCCCCN3CCCCC3)c(F)c2)c1.
What is the InChIKey of N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide?
The InChIKey is IAMSLNCUPVLBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-18(30)27-21-9-7-8-19(16-21)20-10-11-23(22(25)17-20)28-24(31)26-12-3-6-15-29-13-4-2-5-14-29/h7-11,16-17H,2-6,12-15H2,1H3,(H,27,30)(H2,26,28,31).
What are the key properties of N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide?
N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide has a molecular weight of 426.54 g/mol, XLogP of 4.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide is sourced from PubChem (CID 143531645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).