N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide

C18H20BrN3O2 — CID 109039324

IUPACN-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCNc2ccc(C)c(Br)c2)c1
InChIInChI=1S/C18H20BrN3O2/c1-12-6-7-14(11-17(12)19)20-9-8-18(24)22-16-5-3-4-15(10-16)21-13(2)23/h3-7,10-11,20H,8-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPSHWMXKPGGCGIN-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.16
Rot. Bonds6

About N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide

N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide (PubChem CID 109039324) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide
PubChem CID109039324
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC NameN-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCNc2ccc(C)c(Br)c2)c1
InChIInChI=1S/C18H20BrN3O2/c1-12-6-7-14(11-17(12)19)20-9-8-18(24)22-16-5-3-4-15(10-16)21-13(2)23/h3-7,10-11,20H,8-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPSHWMXKPGGCGIN-UHFFFAOYSA-N
XLogP4.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036992
N-(3-bromo-4-methylphenyl)-3-(2-methylanilino)propanamide
CID 109034087
N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide
CID 109041106
3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042030
N-(3-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109039288
3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109041146
N-(3-acetamidophenyl)-3-(2-methylanilino)propanamide
CID 51149887
3-(3-acetamidoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109041187
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide (CID 109039324) is N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide is CC(=O)Nc1cccc(NC(=O)CCNc2ccc(C)c(Br)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide?
The InChIKey is PSHWMXKPGGCGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-12-6-7-14(11-17(12)19)20-9-8-18(24)22-16-5-3-4-15(10-16)21-13(2)23/h3-7,10-11,20H,8-9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide?
N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide has a molecular weight of 390.28 g/mol, XLogP of 4.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide is sourced from PubChem (CID 109039324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).