N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide

C19H21BrN2O2 — CID 24681693

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)Nc2ccccc2Br)c(C)c1
InChIInChI=1S/C19H21BrN2O2/c1-13-7-8-15(14(2)11-13)9-10-18(23)21-12-19(24)22-17-6-4-3-5-16(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGXPYKHZGUQGJRH-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.75
Rot. Bonds6

About N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide

N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide (PubChem CID 24681693) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
PubChem CID24681693
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)Nc2ccccc2Br)c(C)c1
InChIInChI=1S/C19H21BrN2O2/c1-13-7-8-15(14(2)11-13)9-10-18(23)21-12-19(24)22-17-6-4-3-5-16(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGXPYKHZGUQGJRH-UHFFFAOYSA-N
XLogP3.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
CID 17456120
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697
N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide
CID 108953594
3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119439013
3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 36939792
N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride
CID 120604204
N-(2-bromophenyl)-2-[[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 8503107
2-(2,4-dimethylphenyl)-N-(2-methylphenyl)acetamide
CID 100747569
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
3-[3-(2,4-dimethylphenyl)propanoylamino]-2-phenylpropanoic acid
CID 119254764

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide (CID 24681693) is N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide is Cc1ccc(CCC(=O)NCC(=O)Nc2ccccc2Br)c(C)c1.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide?
The InChIKey is GXPYKHZGUQGJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13-7-8-15(14(2)11-13)9-10-18(23)21-12-19(24)22-17-6-4-3-5-16(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide has a molecular weight of 389.29 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 24681693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).