2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide

C17H17Cl2NO — CID 91542770

IUPAC2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide
SMILESCc1cccc(N(C(=O)c2ccc(Cl)cc2Cl)C(C)C)c1
InChIInChI=1S/C17H17Cl2NO/c1-11(2)20(14-6-4-5-12(3)9-14)17(21)15-8-7-13(18)10-16(15)19/h4-11H,1-3H3
InChIKeyUQMKJNJELKVSAO-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.36
Rot. Bonds3

About 2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide

2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide (PubChem CID 91542770) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide
PubChem CID91542770
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide
SMILESCc1cccc(N(C(=O)c2ccc(Cl)cc2Cl)C(C)C)c1
InChIInChI=1S/C17H17Cl2NO/c1-11(2)20(14-6-4-5-12(3)9-14)17(21)15-8-7-13(18)10-16(15)19/h4-11H,1-3H3
InChIKeyUQMKJNJELKVSAO-UHFFFAOYSA-N
XLogP5.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide
CID 52663224
2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide
CID 91395635
2-bromo-4-[(2,4-dichlorobenzoyl)-propan-2-ylamino]-2,3-dihydrothiophene-5-carboxylic acid
CID 89049523
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
N-tert-butyl-2,4-dichloro-N-phenylbenzamide
CID 91801665
N-chloroaniline;(3-chlorophenyl)-propan-2-ylcarbamic acid
CID 175962918
2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzamide
CID 62003309
N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide
CID 14551932
2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 46673965
3-[(2,4-dichlorobenzoyl)-propan-2-ylamino]propanoic acid
CID 60830882
N,3-dimethyl-N-propan-2-ylbenzamide
CID 91322011
N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride
CID 56949574

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide (CID 91542770) is 2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide is Cc1cccc(N(C(=O)c2ccc(Cl)cc2Cl)C(C)C)c1.
What is the InChIKey of 2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide?
The InChIKey is UQMKJNJELKVSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-11(2)20(14-6-4-5-12(3)9-14)17(21)15-8-7-13(18)10-16(15)19/h4-11H,1-3H3.
What are the key properties of 2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide?
2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide has a molecular weight of 322.24 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 91542770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).