N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide

C15H19ClN2O3 — CID 110015508

IUPACN-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)C2CCCC2O)c(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-9-5-6-12(11(16)7-9)18-14(20)8-17-15(21)10-3-2-4-13(10)19/h5-7,10,13,19H,2-4,8H2,1H3,(H,17,21)(H,18,20)
InChIKeyAFVRJCQPVYXRCK-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.86
Rot. Bonds4

About N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide

N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110015508) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110015508
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC NameN-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)C2CCCC2O)c(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-9-5-6-12(11(16)7-9)18-14(20)8-17-15(21)10-3-2-4-13(10)19/h5-7,10,13,19H,2-4,8H2,1H3,(H,17,21)(H,18,20)
InChIKeyAFVRJCQPVYXRCK-UHFFFAOYSA-N
XLogP1.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987894
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547362
2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide
CID 64822911
1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119309067
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422
2-(azocan-1-ium-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 8583722
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 119317102
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997775
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
CID 115617867

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide (CID 110015508) is N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide is Cc1ccc(NC(=O)CNC(=O)C2CCCC2O)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is AFVRJCQPVYXRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9-5-6-12(11(16)7-9)18-14(20)8-17-15(21)10-3-2-4-13(10)19/h5-7,10,13,19H,2-4,8H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide?
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 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]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110015508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).