3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide

C14H19ClN2O2 — CID 115357752

IUPAC3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
SMILESNc1cc(Cl)cc(C(=O)NCC2(CO)CCCC2)c1
InChIInChI=1S/C14H19ClN2O2/c15-11-5-10(6-12(16)7-11)13(19)17-8-14(9-18)3-1-2-4-14/h5-7,18H,1-4,8-9,16H2,(H,17,19)
InChIKeyYNPVRWXWCXMLMZ-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.20
Rot. Bonds4

About 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide

3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide (PubChem CID 115357752) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
PubChem CID115357752
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
SMILESNc1cc(Cl)cc(C(=O)NCC2(CO)CCCC2)c1
InChIInChI=1S/C14H19ClN2O2/c15-11-5-10(6-12(16)7-11)13(19)17-8-14(9-18)3-1-2-4-14/h5-7,18H,1-4,8-9,16H2,(H,17,19)
InChIKeyYNPVRWXWCXMLMZ-UHFFFAOYSA-N
XLogP2.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 115453985
3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701177
3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114095261
4-amino-3,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 82832457
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 115701162
5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 107185637
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methoxybenzamide
CID 115453958
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methylsulfonylbenzamide
CID 115454014
3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115362194
3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099030
3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701272

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The IUPAC name of 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide (CID 115357752) is 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide is Nc1cc(Cl)cc(C(=O)NCC2(CO)CCCC2)c1.
What is the InChIKey of 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The InChIKey is YNPVRWXWCXMLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-5-10(6-12(16)7-11)13(19)17-8-14(9-18)3-1-2-4-14/h5-7,18H,1-4,8-9,16H2,(H,17,19).
What are the key properties of 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide has a molecular weight of 282.77 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 115357752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).