5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide

C14H14ClNO3 — CID 47379891

IUPAC5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCc1occc1CN(C)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H14ClNO3/c1-9-10(5-6-19-9)8-16(2)14(18)12-7-11(15)3-4-13(12)17/h3-7,17H,8H2,1-2H3
InChIKeyMLELFNICONIDMM-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.22
Rot. Bonds3

About 5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide

5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide (PubChem CID 47379891) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
PubChem CID47379891
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCc1occc1CN(C)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H14ClNO3/c1-9-10(5-6-19-9)8-16(2)14(18)12-7-11(15)3-4-13(12)17/h3-7,17H,8H2,1-2H3
InChIKeyMLELFNICONIDMM-UHFFFAOYSA-N
XLogP3.22
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 81226370
2-hydroxy-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61380836
5-amino-2,4-difluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426909
5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 38881006
5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 102705344
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387
2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61380894
4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 80976057
6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide
CID 55052208
2-amino-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426558
3-amino-4,5-dichloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426755
5-chloro-2-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565718

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide (CID 47379891) is 5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide is Cc1occc1CN(C)C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The InChIKey is MLELFNICONIDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-9-10(5-6-19-9)8-16(2)14(18)12-7-11(15)3-4-13(12)17/h3-7,17H,8H2,1-2H3.
What are the key properties of 5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide has a molecular weight of 279.72 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide is sourced from PubChem (CID 47379891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).