3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide

C19H23ClN2O — CID 109036840

IUPAC3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1c(Cl)cccc1NCCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H23ClN2O/c1-13(2)15-7-9-16(10-8-15)22-19(23)11-12-21-18-6-4-5-17(20)14(18)3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)
InChIKeySHRDPLCLCKHUQY-UHFFFAOYSA-N
MW330.86 g/mol
LogP5.21
Rot. Bonds6

About 3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide

3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 109036840) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID109036840
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1c(Cl)cccc1NCCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H23ClN2O/c1-13(2)15-7-9-16(10-8-15)22-19(23)11-12-21-18-6-4-5-17(20)14(18)3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)
InChIKeySHRDPLCLCKHUQY-UHFFFAOYSA-N
XLogP5.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.86
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide
CID 109038281
3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033991
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038316
3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036891
N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54815126
3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109035687
N-(3-chloro-2-methylphenyl)-3-[4-(dimethylamino)anilino]propanamide
CID 109038286
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831753
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide
CID 109038365

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide (CID 109036840) is 3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide is Cc1c(Cl)cccc1NCCC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is SHRDPLCLCKHUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-13(2)15-7-9-16(10-8-15)22-19(23)11-12-21-18-6-4-5-17(20)14(18)3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23).
What are the key properties of 3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide?
3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 330.86 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109036840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).