2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide

C12H16ClNO3 — CID 106501519

IUPAC2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H16ClNO3/c1-8(7-17-3)14(2)12(16)10-6-9(15)4-5-11(10)13/h4-6,8,15H,7H2,1-3H3
InChIKeyBWHHACBHSHWAJX-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.15
Rot. Bonds4

About 2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide

2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide (PubChem CID 106501519) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
PubChem CID106501519
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H16ClNO3/c1-8(7-17-3)14(2)12(16)10-6-9(15)4-5-11(10)13/h4-6,8,15H,7H2,1-3H3
InChIKeyBWHHACBHSHWAJX-UHFFFAOYSA-N
XLogP2.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 114918020
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 113224185
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014
2,6-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 60794728
2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 63110280
3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 81443332
3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
CID 62179080
2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide
CID 51891752
2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 103995696
N-(1-bromopropan-2-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107726127
2-[butan-2-yl-(2-chloro-5-hydroxybenzoyl)amino]acetic acid
CID 106500217

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide (CID 106501519) is 2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide is COCC(C)N(C)C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The InChIKey is BWHHACBHSHWAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8(7-17-3)14(2)12(16)10-6-9(15)4-5-11(10)13/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide has a molecular weight of 257.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 106501519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).