5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide

C16H24ClNO2 — CID 2287612

IUPAC5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N[C@H](C)CCCC(C)C
InChIInChI=1S/C16H24ClNO2/c1-11(2)6-5-7-12(3)18-16(19)14-10-13(17)8-9-15(14)20-4/h8-12H,5-7H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyMZKUDTSLVZSSHC-GFCCVEGCSA-N
MW297.83 g/mol
LogP4.29
Rot. Bonds7

About 5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide

5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide (PubChem CID 2287612) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide
PubChem CID2287612
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N[C@H](C)CCCC(C)C
InChIInChI=1S/C16H24ClNO2/c1-11(2)6-5-7-12(3)18-16(19)14-10-13(17)8-9-15(14)20-4/h8-12H,5-7H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyMZKUDTSLVZSSHC-GFCCVEGCSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
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-(3-methylbutyl)benzamide
CID 885064
1-(5-chloro-2-methoxyphenyl)-4-methylpentan-1-one
CID 62791296
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate
CID 7848086
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide
CID 2915555
5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide
CID 46607912
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide (CID 2287612) is 5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide is COc1ccc(Cl)cc1C(=O)N[C@H](C)CCCC(C)C.
What is the InChIKey of 5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide?
The InChIKey is MZKUDTSLVZSSHC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-11(2)6-5-7-12(3)18-16(19)14-10-13(17)8-9-15(14)20-4/h8-12H,5-7H2,1-4H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide?
5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide has a molecular weight of 297.83 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide is sourced from PubChem (CID 2287612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).