N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide

C12H16ClNO2 — CID 848311

IUPACN-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
SMILESCC[C@H](C)NC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C12H16ClNO2/c1-4-8(2)14-12(15)10-7-9(13)5-6-11(10)16-3/h5-8H,4H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyJUNFLUSDGGHRMM-QMMMGPOBSA-N
MW241.72 g/mol
LogP2.88
Rot. Bonds4

About N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide

N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide (PubChem CID 848311) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
PubChem CID848311
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
SMILESCC[C@H](C)NC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C12H16ClNO2/c1-4-8(2)14-12(15)10-7-9(13)5-6-11(10)16-3/h5-8H,4H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyJUNFLUSDGGHRMM-QMMMGPOBSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide
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5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
N-butan-2-yl-2-methoxybenzamide
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5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide
CID 89323080
N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide
CID 43179785
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
CID 43297510

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide (CID 848311) is N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide is CC[C@H](C)NC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide?
The InChIKey is JUNFLUSDGGHRMM-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-4-8(2)14-12(15)10-7-9(13)5-6-11(10)16-3/h5-8H,4H2,1-3H3,(H,14,15)/t8-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide?
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide has a molecular weight of 241.72 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 848311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).