N-(2-bromophenyl)-3-(cyclohexylamino)propanamide

C15H21BrN2O — CID 109014255

IUPACN-(2-bromophenyl)-3-(cyclohexylamino)propanamide
SMILESO=C(CCNC1CCCCC1)Nc1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c16-13-8-4-5-9-14(13)18-15(19)10-11-17-12-6-2-1-3-7-12/h4-5,8-9,12,17H,1-3,6-7,10-11H2,(H,18,19)
InChIKeyIPSPDDJTSLYUJM-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.70
Rot. Bonds5

About N-(2-bromophenyl)-3-(cyclohexylamino)propanamide

N-(2-bromophenyl)-3-(cyclohexylamino)propanamide (PubChem CID 109014255) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(cyclohexylamino)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(cyclohexylamino)propanamide
PubChem CID109014255
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(2-bromophenyl)-3-(cyclohexylamino)propanamide
SMILESO=C(CCNC1CCCCC1)Nc1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c16-13-8-4-5-9-14(13)18-15(19)10-11-17-12-6-2-1-3-7-12/h4-5,8-9,12,17H,1-3,6-7,10-11H2,(H,18,19)
InChIKeyIPSPDDJTSLYUJM-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-bromophenyl)-3-(cyclohexylamino)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-(2-bromophenyl)-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
CID 109026542
3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109031581
3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide
CID 109014195
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
3-(cyclopropylamino)-N-(2-ethylphenyl)propanamide
CID 60842650
N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide
CID 55188962
N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
CID 109013707
N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60921067
3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109013773

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(cyclohexylamino)propanamide?
The IUPAC name of N-(2-bromophenyl)-3-(cyclohexylamino)propanamide (CID 109014255) is N-(2-bromophenyl)-3-(cyclohexylamino)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(cyclohexylamino)propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(cyclohexylamino)propanamide is O=C(CCNC1CCCCC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(cyclohexylamino)propanamide?
The InChIKey is IPSPDDJTSLYUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c16-13-8-4-5-9-14(13)18-15(19)10-11-17-12-6-2-1-3-7-12/h4-5,8-9,12,17H,1-3,6-7,10-11H2,(H,18,19).
What are the key properties of N-(2-bromophenyl)-3-(cyclohexylamino)propanamide?
N-(2-bromophenyl)-3-(cyclohexylamino)propanamide has a molecular weight of 325.25 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(cyclohexylamino)propanamide is sourced from PubChem (CID 109014255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).