3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide

C17H23FN4O3 — CID 86830681

IUPAC3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)NCCC(=O)NC2CCCC2)c1
InChIInChI=1S/C17H23FN4O3/c1-11(23)20-13-6-7-14(18)15(10-13)22-17(25)19-9-8-16(24)21-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,20,23)(H,21,24)(H2,19,22,25)
InChIKeyUNZYIAGTUUJINW-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.35
Rot. Bonds6

About 3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide

3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide (PubChem CID 86830681) has the molecular formula C17H23FN4O3 and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide
PubChem CID86830681
Molecular FormulaC17H23FN4O3
Molecular Weight350.39 g/mol
Exact Mass350.18
IUPAC Name3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)NCCC(=O)NC2CCCC2)c1
InChIInChI=1S/C17H23FN4O3/c1-11(23)20-13-6-7-14(18)15(10-13)22-17(25)19-9-8-16(24)21-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,20,23)(H,21,24)(H2,19,22,25)
InChIKeyUNZYIAGTUUJINW-UHFFFAOYSA-N
XLogP2.35
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
CID 47162368
3-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 109014056
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide
CID 72894420
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
N-[4-fluoro-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethylcarbamoylamino]phenyl]acetamide
CID 86988340
3-(4-acetylanilino)-N-cyclohexylpropanamide
CID 109014055
N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide
CID 62069998
N-[4-fluoro-3-[(2-methylcyclopentyl)amino]phenyl]acetamide
CID 65044597

Frequently Asked Questions

What is the IUPAC name of 3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide?
The IUPAC name of 3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide (CID 86830681) is 3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide.
What is the SMILES notation for 3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide?
The canonical SMILES for 3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide is CC(=O)Nc1ccc(F)c(NC(=O)NCCC(=O)NC2CCCC2)c1.
What is the InChIKey of 3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide?
The InChIKey is UNZYIAGTUUJINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3/c1-11(23)20-13-6-7-14(18)15(10-13)22-17(25)19-9-8-16(24)21-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,20,23)(H,21,24)(H2,19,22,25).
What are the key properties of 3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide?
3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide has a molecular weight of 350.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide is sourced from PubChem (CID 86830681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).