2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide

C18H20BrN3O2 — CID 35418701

IUPAC2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2ccc(Br)c(C)c2)c1C
InChIInChI=1S/C18H20BrN3O2/c1-11-9-14(7-8-15(11)19)22-18(24)10-20-16-5-4-6-17(12(16)2)21-13(3)23/h4-9,20H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyKWOMOSJFDAVXBK-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.07
Rot. Bonds5

About 2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide

2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide (PubChem CID 35418701) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide
PubChem CID35418701
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2ccc(Br)c(C)c2)c1C
InChIInChI=1S/C18H20BrN3O2/c1-11-9-14(7-8-15(11)19)22-18(24)10-20-16-5-4-6-17(12(16)2)21-13(3)23/h4-9,20H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyKWOMOSJFDAVXBK-UHFFFAOYSA-N
XLogP4.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9099453
N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 35824178
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844990
2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 9079994
ethyl 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzoate
CID 109010868
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide
CID 16553113
2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 34067793
N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099923
4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide
CID 55362429
2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 9099476
N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108956592

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide?
The IUPAC name of 2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide (CID 35418701) is 2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide is CC(=O)Nc1cccc(NCC(=O)Nc2ccc(Br)c(C)c2)c1C.
What is the InChIKey of 2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide?
The InChIKey is KWOMOSJFDAVXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-11-9-14(7-8-15(11)19)22-18(24)10-20-16-5-4-6-17(12(16)2)21-13(3)23/h4-9,20H,10H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide?
2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide has a molecular weight of 390.28 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide is sourced from PubChem (CID 35418701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).