2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide

C11H14ClN3O2 — CID 54928059

IUPAC2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CNC(=O)CN)c(Cl)c1
InChIInChI=1S/C11H14ClN3O2/c1-7-2-3-9(8(12)4-7)15-11(17)6-14-10(16)5-13/h2-4H,5-6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyMNLYIPLXIWPZAA-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.66
Rot. Bonds4

About 2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide

2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide (PubChem CID 54928059) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
PubChem CID54928059
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CNC(=O)CN)c(Cl)c1
InChIInChI=1S/C11H14ClN3O2/c1-7-2-3-9(8(12)4-7)15-11(17)6-14-10(16)5-13/h2-4H,5-6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyMNLYIPLXIWPZAA-UHFFFAOYSA-N
XLogP0.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-methylbenzoate
CID 60847664
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide
CID 60602258
1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119309067
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 43249692
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide
CID 86865949
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide
CID 51098541
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015508
2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide
CID 60848808

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide (CID 54928059) is 2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide is Cc1ccc(NC(=O)CNC(=O)CN)c(Cl)c1.
What is the InChIKey of 2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is MNLYIPLXIWPZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7-2-3-9(8(12)4-7)15-11(17)6-14-10(16)5-13/h2-4H,5-6,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide?
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 255.70 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 54928059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).