N-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide

C29H30ClF3N4O3 — CID 162652621

IUPACN-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(CCCCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C29H30ClF3N4O3/c1-18(38)35-22-10-6-20(7-11-22)25(21-8-12-23(13-9-21)36-19(2)39)5-3-4-16-34-28(40)37-24-14-15-27(30)26(17-24)29(31,32)33/h6-15,17,25H,3-5,16H2,1-2H3,(H,35,38)(H,36,39)(H2,34,37,40)
InChIKeyMIAJHXAOYMGJHD-UHFFFAOYSA-N
MW575.03 g/mol
LogP7.40
Rot. Bonds10

About N-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide

N-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide (PubChem CID 162652621) has the molecular formula C29H30ClF3N4O3 and a molecular weight of 575.03 g/mol. Its IUPAC name is N-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide
PubChem CID162652621
Molecular FormulaC29H30ClF3N4O3
Molecular Weight575.03 g/mol
Exact Mass574.20
IUPAC NameN-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(CCCCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C29H30ClF3N4O3/c1-18(38)35-22-10-6-20(7-11-22)25(21-8-12-23(13-9-21)36-19(2)39)5-3-4-16-34-28(40)37-24-14-15-27(30)26(17-24)29(31,32)33/h6-15,17,25H,3-5,16H2,1-2H3,(H,35,38)(H,36,39)(H2,34,37,40)
InChIKeyMIAJHXAOYMGJHD-UHFFFAOYSA-N
XLogP7.40
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.03
LogP ≤ 57.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]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-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
2-[13-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]tridecylsulfanyl]acetic acid
CID 118535135
N-butyl-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 139036224
1-[5,5-bis(4-fluorophenyl)pentyl]-3-(4-methylphenyl)urea
CID 159537469
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 3334285
4-[[4-acetamido-2-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 122075194
N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515875
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(2-methylbutan-2-ylamino)phenyl]urea
CID 71038616
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]urea
CID 3868756
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
N-butyl-2-(2-chloroethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]propanediamide
CID 126612619

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide (CID 162652621) is N-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide is CC(=O)Nc1ccc(C(CCCCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide?
The InChIKey is MIAJHXAOYMGJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClF3N4O3/c1-18(38)35-22-10-6-20(7-11-22)25(21-8-12-23(13-9-21)36-19(2)39)5-3-4-16-34-28(40)37-24-14-15-27(30)26(17-24)29(31,32)33/h6-15,17,25H,3-5,16H2,1-2H3,(H,35,38)(H,36,39)(H2,34,37,40).
What are the key properties of N-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide?
N-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide has a molecular weight of 575.03 g/mol, XLogP of 7.40, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-acetamidophenyl)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]pentyl]phenyl]acetamide is sourced from PubChem (CID 162652621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).