2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide

C16H23ClN2O3 — CID 109468086

IUPAC2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide
SMILESCCN(CCO)C(=O)c1cc(NC(=O)CC(C)C)ccc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-4-19(7-8-20)16(22)13-10-12(5-6-14(13)17)18-15(21)9-11(2)3/h5-6,10-11,20H,4,7-9H2,1-3H3,(H,18,21)
InChIKeyYPJKBXZLYLZWIW-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.78
Rot. Bonds7

About 2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide

2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide (PubChem CID 109468086) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide
PubChem CID109468086
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide
SMILESCCN(CCO)C(=O)c1cc(NC(=O)CC(C)C)ccc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-4-19(7-8-20)16(22)13-10-12(5-6-14(13)17)18-15(21)9-11(2)3/h5-6,10-11,20H,4,7-9H2,1-3H3,(H,18,21)
InChIKeyYPJKBXZLYLZWIW-UHFFFAOYSA-N
XLogP2.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide
CID 110000959
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78855605
2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide
CID 119430523
N-(3-amino-2-methylpropyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119997159
N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119495881
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride
CID 120560598
2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 61399303
tert-butyl N-[4-chloro-3-(diethylcarbamoyl)phenyl]carbamate
CID 46831746
4-[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]-2-methylbenzoic acid
CID 119240331
N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide
CID 31412018
3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 75451514

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide (CID 109468086) is 2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide is CCN(CCO)C(=O)c1cc(NC(=O)CC(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide?
The InChIKey is YPJKBXZLYLZWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-4-19(7-8-20)16(22)13-10-12(5-6-14(13)17)18-15(21)9-11(2)3/h5-6,10-11,20H,4,7-9H2,1-3H3,(H,18,21).
What are the key properties of 2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide?
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide has a molecular weight of 326.82 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 109468086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).