N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide

C18H20BrClN2O — CID 109028102

IUPACN-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCNCCc1ccc(Cl)cc1
InChIInChI=1S/C18H20BrClN2O/c1-13-12-15(19)4-7-17(13)22-18(23)9-11-21-10-8-14-2-5-16(20)6-3-14/h2-7,12,21H,8-11H2,1H3,(H,22,23)
InChIKeyBKFNJMLNSROOHY-UHFFFAOYSA-N
MW395.73 g/mol
LogP4.57
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide

N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide (PubChem CID 109028102) has the molecular formula C18H20BrClN2O and a molecular weight of 395.73 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
PubChem CID109028102
Molecular FormulaC18H20BrClN2O
Molecular Weight395.73 g/mol
Exact Mass394.04
IUPAC NameN-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCNCCc1ccc(Cl)cc1
InChIInChI=1S/C18H20BrClN2O/c1-13-12-15(19)4-7-17(13)22-18(23)9-11-21-10-8-14-2-5-16(20)6-3-14/h2-7,12,21H,8-11H2,1H3,(H,22,23)
InChIKeyBKFNJMLNSROOHY-UHFFFAOYSA-N
XLogP4.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.73
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]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-(4-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025153
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17225649
N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025931
N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028066
N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016834
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide
CID 43011145
N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042222
N-(4-chloro-2-methylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032034
N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027685
1-(4-bromo-2-methylphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 52565167

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide (CID 109028102) is N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide is Cc1cc(Br)ccc1NC(=O)CCNCCc1ccc(Cl)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide?
The InChIKey is BKFNJMLNSROOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O/c1-13-12-15(19)4-7-17(13)22-18(23)9-11-21-10-8-14-2-5-16(20)6-3-14/h2-7,12,21H,8-11H2,1H3,(H,22,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide?
N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide has a molecular weight of 395.73 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide is sourced from PubChem (CID 109028102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).