3-chloro-N-(3-methylbutyl)benzamide

C12H16ClNO — CID 669768

IUPAC3-chloro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-9(2)6-7-14-12(15)10-4-3-5-11(13)8-10/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)
InChIKeyWGKDDSBRZJQOJL-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.12
Rot. Bonds4

About 3-chloro-N-(3-methylbutyl)benzamide

3-chloro-N-(3-methylbutyl)benzamide (PubChem CID 669768) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-methylbutyl)benzamide
PubChem CID669768
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-chloro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-9(2)6-7-14-12(15)10-4-3-5-11(13)8-10/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)
InChIKeyWGKDDSBRZJQOJL-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-chloro-N-(3-methylbutyl)benzamide (CID 669768) is 3-chloro-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-chloro-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-chloro-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-methylbutyl)benzamide?
The InChIKey is WGKDDSBRZJQOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9(2)6-7-14-12(15)10-4-3-5-11(13)8-10/h3-5,8-9H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 3-chloro-N-(3-methylbutyl)benzamide?
3-chloro-N-(3-methylbutyl)benzamide has a molecular weight of 225.72 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 669768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).