3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide

C12H15ClN2O3 — CID 106099030

IUPAC3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
SMILESNc1cc(Cl)cc(C(=O)NCC2(O)CCOC2)c1
InChIInChI=1S/C12H15ClN2O3/c13-9-3-8(4-10(14)5-9)11(16)15-6-12(17)1-2-18-7-12/h3-5,17H,1-2,6-7,14H2,(H,15,16)
InChIKeyLXKIXGXSKBSMQE-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.80
Rot. Bonds3

About 3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide

3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide (PubChem CID 106099030) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
PubChem CID106099030
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
SMILESNc1cc(Cl)cc(C(=O)NCC2(O)CCOC2)c1
InChIInChI=1S/C12H15ClN2O3/c13-9-3-8(4-10(14)5-9)11(16)15-6-12(17)1-2-18-7-12/h3-5,17H,1-2,6-7,14H2,(H,15,16)
InChIKeyLXKIXGXSKBSMQE-UHFFFAOYSA-N
XLogP0.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.80
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-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 129399312
4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 82833099
3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 115453985
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
4-amino-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099036
3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357752
3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114095261
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
2-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 106102857
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 84590622

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
The IUPAC name of 3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide (CID 106099030) is 3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
The canonical SMILES for 3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide is Nc1cc(Cl)cc(C(=O)NCC2(O)CCOC2)c1.
What is the InChIKey of 3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
The InChIKey is LXKIXGXSKBSMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c13-9-3-8(4-10(14)5-9)11(16)15-6-12(17)1-2-18-7-12/h3-5,17H,1-2,6-7,14H2,(H,15,16).
What are the key properties of 3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide has a molecular weight of 270.72 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide is sourced from PubChem (CID 106099030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).