N-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide

C25H25ClFN3O3 — CID 69344827

IUPACN-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(CCCCCNC(=O)c2ccccc2O)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C25H25ClFN3O3/c26-21-16-19(13-14-22(21)27)30-25(33)29-18-11-9-17(10-12-18)6-2-1-5-15-28-24(32)20-7-3-4-8-23(20)31/h3-4,7-14,16,31H,1-2,5-6,15H2,(H,28,32)(H2,29,30,33)
InChIKeyYJJQOOZPJCNXTC-UHFFFAOYSA-N
MW469.94 g/mol
LogP5.97
Rot. Bonds9

About N-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide

N-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide (PubChem CID 69344827) has the molecular formula C25H25ClFN3O3 and a molecular weight of 469.94 g/mol. Its IUPAC name is N-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide
PubChem CID69344827
Molecular FormulaC25H25ClFN3O3
Molecular Weight469.94 g/mol
Exact Mass469.16
IUPAC NameN-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(CCCCCNC(=O)c2ccccc2O)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C25H25ClFN3O3/c26-21-16-19(13-14-22(21)27)30-25(33)29-18-11-9-17(10-12-18)6-2-1-5-15-28-24(32)20-7-3-4-8-23(20)31/h3-4,7-14,16,31H,1-2,5-6,15H2,(H,28,32)(H2,29,30,33)
InChIKeyYJJQOOZPJCNXTC-UHFFFAOYSA-N
XLogP5.97
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.94
LogP ≤ 55.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide
CID 47985502
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
1-(3-chloro-4-fluoroanilino)-3-(4-pentylphenyl)urea
CID 2796383
N-benzyl-5-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-(dimethylamino)benzamide
CID 42659105
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194918
1-(3-chloro-4-fluorophenyl)-3-nonylthiourea
CID 19651101
1-(3-chloro-4-fluorophenyl)-3-hexylthiourea
CID 19650769
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
CID 47238015

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide?
The IUPAC name of N-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide (CID 69344827) is N-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide?
The canonical SMILES for N-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide is O=C(Nc1ccc(CCCCCNC(=O)c2ccccc2O)cc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide?
The InChIKey is YJJQOOZPJCNXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN3O3/c26-21-16-19(13-14-22(21)27)30-25(33)29-18-11-9-17(10-12-18)6-2-1-5-15-28-24(32)20-7-3-4-8-23(20)31/h3-4,7-14,16,31H,1-2,5-6,15H2,(H,28,32)(H2,29,30,33).
What are the key properties of N-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide?
N-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide has a molecular weight of 469.94 g/mol, XLogP of 5.97, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide is sourced from PubChem (CID 69344827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).