3-(4-bromoanilino)-N-cyclopentylpropanamide

C14H19BrN2O — CID 109013518

IUPAC3-(4-bromoanilino)-N-cyclopentylpropanamide
SMILESO=C(CCNc1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C14H19BrN2O/c15-11-5-7-12(8-6-11)16-10-9-14(18)17-13-3-1-2-4-13/h5-8,13,16H,1-4,9-10H2,(H,17,18)
InChIKeyARSAIYFQYOALID-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.31
Rot. Bonds5

About 3-(4-bromoanilino)-N-cyclopentylpropanamide

3-(4-bromoanilino)-N-cyclopentylpropanamide (PubChem CID 109013518) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-(4-bromoanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-(4-bromoanilino)-N-cyclopentylpropanamide
PubChem CID109013518
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-(4-bromoanilino)-N-cyclopentylpropanamide
SMILESO=C(CCNc1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C14H19BrN2O/c15-11-5-7-12(8-6-11)16-10-9-14(18)17-13-3-1-2-4-13/h5-8,13,16H,1-4,9-10H2,(H,17,18)
InChIKeyARSAIYFQYOALID-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
N-cyclopentyl-3-(4-ethylanilino)propanamide
CID 109013496
3-(4-acetylanilino)-N-cyclohexylpropanamide
CID 109014055
methyl 4-[[3-(cycloheptylamino)-3-oxopropyl]amino]benzoate
CID 109031506
3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
CID 71996706
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
N'-(4-bromophenyl)-N-cyclopentylpropanediamide
CID 108942239
N-cycloheptyl-3-(4-phenoxyanilino)propanamide
CID 109031516
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013548
N-cyclohexyl-3-(3,5-dichloroanilino)propanamide
CID 109014092

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-N-cyclopentylpropanamide?
The IUPAC name of 3-(4-bromoanilino)-N-cyclopentylpropanamide (CID 109013518) is 3-(4-bromoanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for 3-(4-bromoanilino)-N-cyclopentylpropanamide?
The canonical SMILES for 3-(4-bromoanilino)-N-cyclopentylpropanamide is O=C(CCNc1ccc(Br)cc1)NC1CCCC1.
What is the InChIKey of 3-(4-bromoanilino)-N-cyclopentylpropanamide?
The InChIKey is ARSAIYFQYOALID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-11-5-7-12(8-6-11)16-10-9-14(18)17-13-3-1-2-4-13/h5-8,13,16H,1-4,9-10H2,(H,17,18).
What are the key properties of 3-(4-bromoanilino)-N-cyclopentylpropanamide?
3-(4-bromoanilino)-N-cyclopentylpropanamide has a molecular weight of 311.22 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 109013518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).