5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide

C12H16ClNO3 — CID 43390352

IUPAC5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
SMILESCCC(CO)NC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C12H16ClNO3/c1-3-9(7-15)14-12(16)10-6-8(13)4-5-11(10)17-2/h4-6,9,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyMWGSWMQOSJXWCN-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.85
Rot. Bonds5

About 5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide

5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide (PubChem CID 43390352) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
PubChem CID43390352
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
SMILESCCC(CO)NC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C12H16ClNO3/c1-3-9(7-15)14-12(16)10-6-8(13)4-5-11(10)17-2/h4-6,9,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyMWGSWMQOSJXWCN-UHFFFAOYSA-N
XLogP1.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 113351921
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide
CID 114310666
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide
CID 115767323
2-fluoro-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 103604548
5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide
CID 2287612
3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide
CID 23141504
2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide
CID 114211333
5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716401

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide (CID 43390352) is 5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide is CCC(CO)NC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide?
The InChIKey is MWGSWMQOSJXWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-3-9(7-15)14-12(16)10-6-8(13)4-5-11(10)17-2/h4-6,9,15H,3,7H2,1-2H3,(H,14,16).
What are the key properties of 5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide?
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide has a molecular weight of 257.72 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 43390352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).