N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide

C16H23ClN2O3 — CID 51098541

IUPACN-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide
SMILESCc1ccc(NC(=O)CNC(=O)CCOCC(C)C)c(Cl)c1
InChIInChI=1S/C16H23ClN2O3/c1-11(2)10-22-7-6-15(20)18-9-16(21)19-14-5-4-12(3)8-13(14)17/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyHVULXJXPVDHUQS-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.77
Rot. Bonds8

About N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide

N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide (PubChem CID 51098541) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide
PubChem CID51098541
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide
SMILESCc1ccc(NC(=O)CNC(=O)CCOCC(C)C)c(Cl)c1
InChIInChI=1S/C16H23ClN2O3/c1-11(2)10-22-7-6-15(20)18-9-16(21)19-14-5-4-12(3)8-13(14)17/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyHVULXJXPVDHUQS-UHFFFAOYSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
1-(2-chloro-4-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51074651
2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 60602985
ethyl N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]carbamate
CID 47064936
3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 103208634
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide
CID 43376605
N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide
CID 38956787
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide
CID 86865949
N-(2-chloro-4-methylphenyl)-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 110978944

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide (CID 51098541) is N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide is Cc1ccc(NC(=O)CNC(=O)CCOCC(C)C)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide?
The InChIKey is HVULXJXPVDHUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-11(2)10-22-7-6-15(20)18-9-16(21)19-14-5-4-12(3)8-13(14)17/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide?
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide has a molecular weight of 326.82 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 51098541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).