3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide

C15H21BrN2O — CID 109013519

IUPAC3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
SMILESCc1ccc(NCCC(=O)NC2CCCC2)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-11-6-7-13(10-14(11)16)17-9-8-15(19)18-12-4-2-3-5-12/h6-7,10,12,17H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyOXBJFNFGMGRAFP-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.62
Rot. Bonds5

About 3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide

3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide (PubChem CID 109013519) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
PubChem CID109013519
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
SMILESCc1ccc(NCCC(=O)NC2CCCC2)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-11-6-7-13(10-14(11)16)17-9-8-15(19)18-12-4-2-3-5-12/h6-7,10,12,17H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyOXBJFNFGMGRAFP-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
CID 63333682
3-(4-bromoanilino)-N-cyclopentylpropanamide
CID 109013518
N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
CID 109013707
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
3-(3-bromo-4-methylanilino)-N-propan-2-ylpropanamide
CID 63333816
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617
N-cyclopentyl-3-(4-ethylanilino)propanamide
CID 109013496
3-(4-acetylanilino)-N-cyclohexylpropanamide
CID 109014055
3-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 109014056
N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide
CID 62625952
N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide?
The IUPAC name of 3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide (CID 109013519) is 3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for 3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide?
The canonical SMILES for 3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide is Cc1ccc(NCCC(=O)NC2CCCC2)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide?
The InChIKey is OXBJFNFGMGRAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-6-7-13(10-14(11)16)17-9-8-15(19)18-12-4-2-3-5-12/h6-7,10,12,17H,2-5,8-9H2,1H3,(H,18,19).
What are the key properties of 3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide?
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide has a molecular weight of 325.25 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 109013519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).