N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide

C17H19ClN2O — CID 109034457

IUPACN-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
SMILESCc1ccc(NCCC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C17H19ClN2O/c1-12-3-7-15(8-4-12)19-10-9-17(21)20-16-11-14(18)6-5-13(16)2/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyLBDRJFMODANMOS-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.40
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide

N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide (PubChem CID 109034457) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
PubChem CID109034457
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
SMILESCc1ccc(NCCC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C17H19ClN2O/c1-12-3-7-15(8-4-12)19-10-9-17(21)20-16-11-14(18)6-5-13(16)2/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyLBDRJFMODANMOS-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-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035266
3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038378
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
CID 109041273
3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038514
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109038512
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
2-(4-bromoanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 7492460
3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038316
3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide (CID 109034457) is N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide is Cc1ccc(NCCC(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide?
The InChIKey is LBDRJFMODANMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-3-7-15(8-4-12)19-10-9-17(21)20-16-11-14(18)6-5-13(16)2/h3-8,11,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide?
N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)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-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide is sourced from PubChem (CID 109034457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).