4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide

C13H17ClN2O2 — CID 106118704

IUPAC4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESNc1ccc(C(=O)NCC2CCC(O)C2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-12-6-9(15)2-4-11(12)13(18)16-7-8-1-3-10(17)5-8/h2,4,6,8,10,17H,1,3,5,7,15H2,(H,16,18)
InChIKeyKXJILDBBLZNFDV-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.81
Rot. Bonds3

About 4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide

4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide (PubChem CID 106118704) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
PubChem CID106118704
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESNc1ccc(C(=O)NCC2CCC(O)C2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-12-6-9(15)2-4-11(12)13(18)16-7-8-1-3-10(17)5-8/h2,4,6,8,10,17H,1,3,5,7,15H2,(H,16,18)
InChIKeyKXJILDBBLZNFDV-UHFFFAOYSA-N
XLogP1.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.81
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

4-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279853
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118737
5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280349
2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 114145929
4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 106124243
4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006638
4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride
CID 119854816
4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide
CID 165390196
2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118792

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide (CID 106118704) is 4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide is Nc1ccc(C(=O)NCC2CCC(O)C2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The InChIKey is KXJILDBBLZNFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-12-6-9(15)2-4-11(12)13(18)16-7-8-1-3-10(17)5-8/h2,4,6,8,10,17H,1,3,5,7,15H2,(H,16,18).
What are the key properties of 4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide has a molecular weight of 268.74 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide is sourced from PubChem (CID 106118704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).