4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

C13H16Cl2N2O3 — CID 82833099

IUPAC4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESNc1c(Cl)cc(C(=O)NCC2(O)CCOCC2)cc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c14-9-5-8(6-10(15)11(9)16)12(18)17-7-13(19)1-3-20-4-2-13/h5-6,19H,1-4,7,16H2,(H,17,18)
InChIKeyJWAGKHJFFGJXLC-UHFFFAOYSA-N
MW319.19 g/mol
LogP1.85
Rot. Bonds3

About 4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (PubChem CID 82833099) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
PubChem CID82833099
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESNc1c(Cl)cc(C(=O)NCC2(O)CCOCC2)cc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c14-9-5-8(6-10(15)11(9)16)12(18)17-7-13(19)1-3-20-4-2-13/h5-6,19H,1-4,7,16H2,(H,17,18)
InChIKeyJWAGKHJFFGJXLC-UHFFFAOYSA-N
XLogP1.85
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 51.85
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

3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 79040021
4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81133927
3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099030
4-amino-3,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 82832457
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide
CID 113343145
2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039031
3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123513
1-[[(4-amino-3,5-dichlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 82833458
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide
CID 103712060
N-[(4-hydroxyoxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 79037313
3,6-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
CID 79038761

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (CID 82833099) is 4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide is Nc1c(Cl)cc(C(=O)NCC2(O)CCOCC2)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The InChIKey is JWAGKHJFFGJXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c14-9-5-8(6-10(15)11(9)16)12(18)17-7-13(19)1-3-20-4-2-13/h5-6,19H,1-4,7,16H2,(H,17,18).
What are the key properties of 4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide has a molecular weight of 319.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide is sourced from PubChem (CID 82833099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).