4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

C13H17ClN2O3 — CID 81133927

IUPAC4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESNc1ccc(C(=O)NCC2(O)CCOCC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c14-11-7-9(15)1-2-10(11)12(17)16-8-13(18)3-5-19-6-4-13/h1-2,7,18H,3-6,8,15H2,(H,16,17)
InChIKeyKWHIQDZLQHOEHT-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.19
Rot. Bonds3

About 4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (PubChem CID 81133927) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
PubChem CID81133927
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESNc1ccc(C(=O)NCC2(O)CCOCC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c14-11-7-9(15)1-2-10(11)12(17)16-8-13(18)3-5-19-6-4-13/h1-2,7,18H,3-6,8,15H2,(H,16,17)
InChIKeyKWHIQDZLQHOEHT-UHFFFAOYSA-N
XLogP1.19
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-nitrobenzamide
CID 79037452
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039031
4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 82833099
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
4-amino-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099080
4-amino-N-ethyl-2-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 81133747
4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride
CID 119780555
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide
CID 103712060
4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide
CID 119724818
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (CID 81133927) is 4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide is Nc1ccc(C(=O)NCC2(O)CCOCC2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The InChIKey is KWHIQDZLQHOEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-11-7-9(15)1-2-10(11)12(17)16-8-13(18)3-5-19-6-4-13/h1-2,7,18H,3-6,8,15H2,(H,16,17).
What are the key properties of 4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide has a molecular weight of 284.74 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide is sourced from PubChem (CID 81133927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).