2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide

C13H15Cl2NO — CID 746126

IUPAC2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H](C)C2CC2)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO/c1-7-5-10(12(15)6-11(7)14)13(17)16-8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,16,17)/t8-/m0/s1
InChIKeyIORKMUFUDJDTLF-QMMMGPOBSA-N
MW272.18 g/mol
LogP3.83
Rot. Bonds3

About 2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide

2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide (PubChem CID 746126) has the molecular formula C13H15Cl2NO and a molecular weight of 272.18 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide
PubChem CID746126
Molecular FormulaC13H15Cl2NO
Molecular Weight272.18 g/mol
Exact Mass271.05
IUPAC Name2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H](C)C2CC2)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO/c1-7-5-10(12(15)6-11(7)14)13(17)16-8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,16,17)/t8-/m0/s1
InChIKeyIORKMUFUDJDTLF-QMMMGPOBSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide?
The IUPAC name of 2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide (CID 746126) is 2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide is Cc1cc(C(=O)N[C@@H](C)C2CC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide?
The InChIKey is IORKMUFUDJDTLF-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-7-5-10(12(15)6-11(7)14)13(17)16-8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,16,17)/t8-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide?
2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide has a molecular weight of 272.18 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide is sourced from PubChem (CID 746126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).