N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide

C19H21BrN2O2 — CID 113057472

IUPACN-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(Br)cc1)c1cccc(C)c1
InChIInChI=1S/C19H21BrN2O2/c1-14-4-3-5-18(12-14)22(15(2)23)11-10-21-19(24)13-16-6-8-17(20)9-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyUGXROBBMWUITLL-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide

N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide (PubChem CID 113057472) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
PubChem CID113057472
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(Br)cc1)c1cccc(C)c1
InChIInChI=1S/C19H21BrN2O2/c1-14-4-3-5-18(12-14)22(15(2)23)11-10-21-19(24)13-16-6-8-17(20)9-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyUGXROBBMWUITLL-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113062661
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide
CID 113057406
N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113061592
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
CID 113057921
methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate
CID 113057469
3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123741
N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 113057415
N-[2-(N,4-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113061683
2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
CID 113167580
N-[2-(N-acetyl-3-methylanilino)ethyl]-3-fluorobenzamide
CID 113057422
N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113061572

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide (CID 113057472) is N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccc(Br)cc1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide?
The InChIKey is UGXROBBMWUITLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-14-4-3-5-18(12-14)22(15(2)23)11-10-21-19(24)13-16-6-8-17(20)9-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide?
N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide has a molecular weight of 389.29 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 113057472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).