5-chloro-2-methoxy-N-(3-methylbutyl)benzamide

C13H18ClNO2 — CID 885064

IUPAC5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCC(C)C
InChIInChI=1S/C13H18ClNO2/c1-9(2)6-7-15-13(16)11-8-10(14)4-5-12(11)17-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyKEGRIZFESDCCEA-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.12
Rot. Bonds5

About 5-chloro-2-methoxy-N-(3-methylbutyl)benzamide

5-chloro-2-methoxy-N-(3-methylbutyl)benzamide (PubChem CID 885064) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
PubChem CID885064
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCC(C)C
InChIInChI=1S/C13H18ClNO2/c1-9(2)6-7-15-13(16)11-8-10(14)4-5-12(11)17-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyKEGRIZFESDCCEA-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 110767257
5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide
CID 2287612
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
CID 114306224
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614821
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108540887

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(3-methylbutyl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(3-methylbutyl)benzamide (CID 885064) is 5-chloro-2-methoxy-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(3-methylbutyl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(3-methylbutyl)benzamide is COc1ccc(Cl)cc1C(=O)NCCC(C)C.
What is the InChIKey of 5-chloro-2-methoxy-N-(3-methylbutyl)benzamide?
The InChIKey is KEGRIZFESDCCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(2)6-7-15-13(16)11-8-10(14)4-5-12(11)17-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 5-chloro-2-methoxy-N-(3-methylbutyl)benzamide?
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide has a molecular weight of 255.75 g/mol, XLogP of 3.12, 5 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-(3-methylbutyl)benzamide is sourced from PubChem (CID 885064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).