benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate

C17H17ClN2O3 — CID 60596320

IUPACbenzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate
SMILESCc1ccc(Cl)cc1NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-12-7-8-14(18)9-15(12)20-16(21)10-19-17(22)23-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyHBRRNRGXSPQNLT-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.51
Rot. Bonds5

About benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate

benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate (PubChem CID 60596320) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate
PubChem CID60596320
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Namebenzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate
SMILESCc1ccc(Cl)cc1NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-12-7-8-14(18)9-15(12)20-16(21)10-19-17(22)23-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyHBRRNRGXSPQNLT-UHFFFAOYSA-N
XLogP3.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 78775976
benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate
CID 18930613
(4-chlorophenyl)methyl 4-(5-chloro-2-methylanilino)-4-oxobutanoate
CID 19587904
benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate
CID 60595823
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
4-chloro-2-(phenylmethoxycarbonylamino)benzoic acid
CID 29299845
benzyl N-[(2S)-1-(5-chloro-2-methylanilino)-3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropan-2-yl]carbamate
CID 126006102
N-(5-chloro-2-methylphenyl)-2-phenylmethoxybenzamide
CID 4946400
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
CID 10470827
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480
benzyl (2S,4S)-2-[(5-chloro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 126011687

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate (CID 60596320) is benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate is Cc1ccc(Cl)cc1NC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate?
The InChIKey is HBRRNRGXSPQNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-12-7-8-14(18)9-15(12)20-16(21)10-19-17(22)23-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate?
benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate has a molecular weight of 332.79 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 60596320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).