3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide

C20H25ClN2O2 — CID 109036891

IUPAC3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NCCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H25ClN2O2/c1-13(2)15-5-7-16(8-6-15)23-20(24)9-10-22-18-11-14(3)17(21)12-19(18)25-4/h5-8,11-13,22H,9-10H2,1-4H3,(H,23,24)
InChIKeyPFSWSDNQYSFRAZ-UHFFFAOYSA-N
MW360.89 g/mol
LogP5.22
Rot. Bonds7

About 3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide

3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 109036891) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID109036891
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NCCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H25ClN2O2/c1-13(2)15-5-7-16(8-6-15)23-20(24)9-10-22-18-11-14(3)17(21)12-19(18)25-4/h5-8,11-13,22H,9-10H2,1-4H3,(H,23,24)
InChIKeyPFSWSDNQYSFRAZ-UHFFFAOYSA-N
XLogP5.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109039005
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chlorophenyl)propanamide
CID 109038015
3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041770
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
CID 109036911
3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 109039271
N-[4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylphenyl]butanamide
CID 19631628
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109042672
3-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039788
3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036840
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
2-(4-chloro-2-methoxy-5-methylanilino)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 9102876

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide (CID 109036891) is 3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide is COc1cc(Cl)c(C)cc1NCCC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is PFSWSDNQYSFRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-13(2)15-5-7-16(8-6-15)23-20(24)9-10-22-18-11-14(3)17(21)12-19(18)25-4/h5-8,11-13,22H,9-10H2,1-4H3,(H,23,24).
What are the key properties of 3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide?
3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 360.89 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109036891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).