3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide

C12H14Cl2N2O2 — CID 178146409

IUPAC3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCNC1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H14Cl2N2O2/c13-8-3-9(11(17)10(14)4-8)12(18)16-6-7-1-2-15-5-7/h3-4,7,15,17H,1-2,5-6H2,(H,16,18)
InChIKeyNYLHLOOZQCXHGP-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.04
Rot. Bonds3

About 3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide

3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide (PubChem CID 178146409) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
PubChem CID178146409
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCNC1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H14Cl2N2O2/c13-8-3-9(11(17)10(14)4-8)12(18)16-6-7-1-2-15-5-7/h3-4,7,15,17H,1-2,5-6H2,(H,16,18)
InChIKeyNYLHLOOZQCXHGP-UHFFFAOYSA-N
XLogP2.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 178146194
3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
CID 80564619
3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 81267075
2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271836
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595
N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide
CID 178146344
5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 139371482
2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride
CID 119461858
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271818
2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 103805410
3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119461750

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide (CID 178146409) is 3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide is O=C(NCC1CCNC1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide?
The InChIKey is NYLHLOOZQCXHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c13-8-3-9(11(17)10(14)4-8)12(18)16-6-7-1-2-15-5-7/h3-4,7,15,17H,1-2,5-6H2,(H,16,18).
What are the key properties of 3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide?
3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide has a molecular weight of 289.16 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide is sourced from PubChem (CID 178146409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).