2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide

C19H22ClN3O2 — CID 86930913

IUPAC2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)NC(C)c2ccccc2Cl)c1C
InChIInChI=1S/C19H22ClN3O2/c1-12-17(9-6-10-18(12)23-14(3)24)21-11-19(25)22-13(2)15-7-4-5-8-16(15)20/h4-10,13,21H,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyXUHCDJBGIVJVOF-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.90
Rot. Bonds6

About 2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide

2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide (PubChem CID 86930913) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide
PubChem CID86930913
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)NC(C)c2ccccc2Cl)c1C
InChIInChI=1S/C19H22ClN3O2/c1-12-17(9-6-10-18(12)23-14(3)24)21-11-19(25)22-13(2)15-7-4-5-8-16(15)20/h4-10,13,21H,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyXUHCDJBGIVJVOF-UHFFFAOYSA-N
XLogP3.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate
CID 86824957
2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31666442
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34068641
2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide
CID 34068559
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772390
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide (CID 86930913) is 2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide is CC(=O)Nc1cccc(NCC(=O)NC(C)c2ccccc2Cl)c1C.
What is the InChIKey of 2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide?
The InChIKey is XUHCDJBGIVJVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-12-17(9-6-10-18(12)23-14(3)24)21-11-19(25)22-13(2)15-7-4-5-8-16(15)20/h4-10,13,21H,11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide?
2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide has a molecular weight of 359.86 g/mol, XLogP of 3.90, 6 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-[1-(2-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 86930913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).