N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide

C17H19ClN2O — CID 109035349

IUPACN-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
SMILESCc1ccc(C)c(NCCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-12-7-8-13(2)16(11-12)19-10-9-17(21)20-15-6-4-3-5-14(15)18/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyXHKJXEILAGSCRM-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.40
Rot. Bonds5

About N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide

N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide (PubChem CID 109035349) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
PubChem CID109035349
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
SMILESCc1ccc(C)c(NCCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-12-7-8-13(2)16(11-12)19-10-9-17(21)20-15-6-4-3-5-14(15)18/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyXHKJXEILAGSCRM-UHFFFAOYSA-N
XLogP4.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035406
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037798
3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033991
N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
2-(5-chloro-2-methylanilino)-N-(2-chlorophenyl)acetamide
CID 9102932
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035266

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide (CID 109035349) is N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide is Cc1ccc(C)c(NCCC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide?
The InChIKey is XHKJXEILAGSCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-7-8-13(2)16(11-12)19-10-9-17(21)20-15-6-4-3-5-14(15)18/h3-8,11,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide?
N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide has a molecular weight of 302.81 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide is sourced from PubChem (CID 109035349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).