5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid

C19H19Cl2NO3 — CID 159378418

IUPAC5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid
SMILESCc1ccc(Cl)cc1C(=O)NC1CC1.Cc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C11H12ClNO.C8H7ClO2/c1-7-2-3-8(12)6-10(7)11(14)13-9-4-5-9;1-5-2-3-6(9)4-7(5)8(10)11/h2-3,6,9H,4-5H2,1H3,(H,13,14);2-4H,1H3,(H,10,11)
InChIKeyLKPKSVBUEHUMOH-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.89
Rot. Bonds3

About 5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid

5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid (PubChem CID 159378418) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid
PubChem CID159378418
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Name5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid
SMILESCc1ccc(Cl)cc1C(=O)NC1CC1.Cc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C11H12ClNO.C8H7ClO2/c1-7-2-3-8(12)6-10(7)11(14)13-9-4-5-9;1-5-2-3-6(9)4-7(5)8(10)11/h2-3,6,9H,4-5H2,1H3,(H,13,14);2-4H,1H3,(H,10,11)
InChIKeyLKPKSVBUEHUMOH-UHFFFAOYSA-N
XLogP4.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
5-chloro-N-cyclopropyl-2-(methylamino)benzamide
CID 62171127
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide
CID 121222069
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634
4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103887689
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108554637

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid?
The IUPAC name of 5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid (CID 159378418) is 5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid.
What is the SMILES notation for 5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid?
The canonical SMILES for 5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid is Cc1ccc(Cl)cc1C(=O)NC1CC1.Cc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid?
The InChIKey is LKPKSVBUEHUMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO.C8H7ClO2/c1-7-2-3-8(12)6-10(7)11(14)13-9-4-5-9;1-5-2-3-6(9)4-7(5)8(10)11/h2-3,6,9H,4-5H2,1H3,(H,13,14);2-4H,1H3,(H,10,11).
What are the key properties of 5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid?
5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid has a molecular weight of 380.27 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid is sourced from PubChem (CID 159378418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).