4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide

C13H16ClNO4 — CID 91777707

IUPAC4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)N[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C13H16ClNO4/c1-18-12-6-8(14)2-3-9(12)13(17)15-10-4-5-19-7-11(10)16/h2-3,6,10-11,16H,4-5,7H2,1H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyHQWGDALKOGWYEG-GHMZBOCLSA-N
MW285.73 g/mol
LogP1.23
Rot. Bonds3

About 4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide

4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide (PubChem CID 91777707) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide
PubChem CID91777707
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)N[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C13H16ClNO4/c1-18-12-6-8(14)2-3-9(12)13(17)15-10-4-5-19-7-11(10)16/h2-3,6,10-11,16H,4-5,7H2,1H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyHQWGDALKOGWYEG-GHMZBOCLSA-N
XLogP1.23
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide
CID 91836572
2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813698
2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 91794863
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide
CID 91765639
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide
CID 91785243
2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91773629
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
N-(2-aminocyclopropyl)-5-chloro-2-methoxybenzamide
CID 43593837
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide
CID 91789115
4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide
CID 113492957

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide (CID 91777707) is 4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)N[C@@H]1CCOC[C@H]1O.
What is the InChIKey of 4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide?
The InChIKey is HQWGDALKOGWYEG-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-18-12-6-8(14)2-3-9(12)13(17)15-10-4-5-19-7-11(10)16/h2-3,6,10-11,16H,4-5,7H2,1H3,(H,15,17)/t10-,11-/m1/s1.
What are the key properties of 4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide?
4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide has a molecular weight of 285.73 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 91777707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).