2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide

C17H23ClN2O3 — CID 111459554

IUPAC2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C17H23ClN2O3/c1-11(2)15(21)20-12-5-6-14(18)13(9-12)16(22)19-10-17(23)7-3-4-8-17/h5-6,9,11,23H,3-4,7-8,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyJRBRYOBZYVZNTI-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.97
Rot. Bonds5

About 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide

2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide (PubChem CID 111459554) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide
PubChem CID111459554
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C17H23ClN2O3/c1-11(2)15(21)20-12-5-6-14(18)13(9-12)16(22)19-10-17(23)7-3-4-8-17/h5-6,9,11,23H,3-4,7-8,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyJRBRYOBZYVZNTI-UHFFFAOYSA-N
XLogP2.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
CID 119504443
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514843
N-(2-amino-2-ethylbutyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119644007
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
5-chloro-2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113939
N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119572129
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide
CID 46887562
2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445199
4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide (CID 111459554) is 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC2(O)CCCC2)c1.
What is the InChIKey of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide?
The InChIKey is JRBRYOBZYVZNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-11(2)15(21)20-12-5-6-14(18)13(9-12)16(22)19-10-17(23)7-3-4-8-17/h5-6,9,11,23H,3-4,7-8,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide?
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide has a molecular weight of 338.84 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 111459554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).