N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide

C15H21BrN2O — CID 109013707

IUPACN-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
SMILESCc1ccc(NC(=O)CCNC2CCCC2)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-11-6-7-13(10-14(11)16)18-15(19)8-9-17-12-4-2-3-5-12/h6-7,10,12,17H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyNRBLGOQMASDIDC-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.62
Rot. Bonds5

About N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide

N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide (PubChem CID 109013707) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
PubChem CID109013707
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
SMILESCc1ccc(NC(=O)CCNC2CCCC2)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-11-6-7-13(10-14(11)16)18-15(19)8-9-17-12-4-2-3-5-12/h6-7,10,12,17H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyNRBLGOQMASDIDC-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

Analyze N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide 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-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide
CID 109031667
N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
CID 63333682
3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109013731
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
[2-(3-bromo-4-methylanilino)-2-oxoethyl]-(cyclohexylmethyl)azanium
CID 7450757
N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
CID 107336437
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide (CID 109013707) is N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide is Cc1ccc(NC(=O)CCNC2CCCC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide?
The InChIKey is NRBLGOQMASDIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-6-7-13(10-14(11)16)18-15(19)8-9-17-12-4-2-3-5-12/h6-7,10,12,17H,2-5,8-9H2,1H3,(H,18,19).
What are the key properties of N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide?
N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide 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 N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide is sourced from PubChem (CID 109013707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).