5-chloro-N-methyl-2-propylbenzamide

C11H14ClNO — CID 142083181

IUPAC5-chloro-N-methyl-2-propylbenzamide
SMILESCCCc1ccc(Cl)cc1C(=O)NC
InChIInChI=1S/C11H14ClNO/c1-3-4-8-5-6-9(12)7-10(8)11(14)13-2/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyXDOYHDCZRJXACD-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.65
Rot. Bonds3

About 5-chloro-N-methyl-2-propylbenzamide

5-chloro-N-methyl-2-propylbenzamide (PubChem CID 142083181) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-propylbenzamide.

Molecular Properties

Compound Name5-chloro-N-methyl-2-propylbenzamide
PubChem CID142083181
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name5-chloro-N-methyl-2-propylbenzamide
SMILESCCCc1ccc(Cl)cc1C(=O)NC
InChIInChI=1S/C11H14ClNO/c1-3-4-8-5-6-9(12)7-10(8)11(14)13-2/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyXDOYHDCZRJXACD-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-methyl-2-sulfanylbenzamide
CID 123328239
4-chloro-2-propylbenzoyl chloride
CID 141018159
4-chloro-1-ethyl-2-propylbenzene
CID 144500548
(4-chloro-2-propylphenyl)methanol
CID 165125586
4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide
CID 11181426
2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
CID 119284267
3-methoxy-N-methyl-4-propylbenzamide
CID 155440057
5-butyl-2-fluoro-N-methylbenzamide
CID 147314196
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-(4-chloro-2-methylphenyl)-N-ethylacetamide
CID 142912369
3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide
CID 104853999

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-propylbenzamide?
The IUPAC name of 5-chloro-N-methyl-2-propylbenzamide (CID 142083181) is 5-chloro-N-methyl-2-propylbenzamide.
What is the SMILES notation for 5-chloro-N-methyl-2-propylbenzamide?
The canonical SMILES for 5-chloro-N-methyl-2-propylbenzamide is CCCc1ccc(Cl)cc1C(=O)NC.
What is the InChIKey of 5-chloro-N-methyl-2-propylbenzamide?
The InChIKey is XDOYHDCZRJXACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-4-8-5-6-9(12)7-10(8)11(14)13-2/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5-chloro-N-methyl-2-propylbenzamide?
5-chloro-N-methyl-2-propylbenzamide has a molecular weight of 211.69 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-propylbenzamide is sourced from PubChem (CID 142083181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).