3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide

C10H12ClNO4 — CID 69145581

IUPAC3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide
SMILESNC(=O)c1ccc(OC[C@H](O)CO)c(Cl)c1
InChIInChI=1S/C10H12ClNO4/c11-8-3-6(10(12)15)1-2-9(8)16-5-7(14)4-13/h1-3,7,13-14H,4-5H2,(H2,12,15)/t7-/m1/s1
InChIKeyCZVOJVQKHSKUMC-SSDOTTSWSA-N
MW245.66 g/mol
LogP0.17
Rot. Bonds5

About 3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide

3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide (PubChem CID 69145581) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is 3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide
PubChem CID69145581
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide
SMILESNC(=O)c1ccc(OC[C@H](O)CO)c(Cl)c1
InChIInChI=1S/C10H12ClNO4/c11-8-3-6(10(12)15)1-2-9(8)16-5-7(14)4-13/h1-3,7,13-14H,4-5H2,(H2,12,15)/t7-/m1/s1
InChIKeyCZVOJVQKHSKUMC-SSDOTTSWSA-N
XLogP0.17
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-dodecoxybenzamide
CID 172740881
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 91683401
1-[3-chloro-4-(3-ethoxy-2-hydroxypropoxy)phenyl]ethanone
CID 113389865
3-chloro-4-(3-ethoxy-2-hydroxypropoxy)benzoic acid
CID 63934576
3-chloro-4-[(4-fluorophenyl)methoxy]benzamide
CID 91681954
4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 42942047
4-(2,3-dihydroxypropoxy)-3-methylbenzoic acid
CID 107673437
3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
CID 14853026
4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid
CID 60711874
4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide
CID 167892759
4-[(3-bromophenyl)methoxy]-3-chlorobenzamide
CID 91683338
4-chloro-2-(2,3-dihydroxypropoxy)benzoic acid
CID 82842018

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide?
The IUPAC name of 3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide (CID 69145581) is 3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide.
What is the SMILES notation for 3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide?
The canonical SMILES for 3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide is NC(=O)c1ccc(OC[C@H](O)CO)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide?
The InChIKey is CZVOJVQKHSKUMC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12ClNO4/c11-8-3-6(10(12)15)1-2-9(8)16-5-7(14)4-13/h1-3,7,13-14H,4-5H2,(H2,12,15)/t7-/m1/s1.
What are the key properties of 3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide?
3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide has a molecular weight of 245.66 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide is sourced from PubChem (CID 69145581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).