2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide

C19H21Cl2N3O2 — CID 18145573

IUPAC2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide
SMILESCC(NC(=O)C(NC(=O)c1ccc(Cl)cc1Cl)C(C)C)c1ccncc1
InChIInChI=1S/C19H21Cl2N3O2/c1-11(2)17(19(26)23-12(3)13-6-8-22-9-7-13)24-18(25)15-5-4-14(20)10-16(15)21/h4-12,17H,1-3H3,(H,23,26)(H,24,25)
InChIKeyOZXNSMVDHRGWTN-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.02
Rot. Bonds6

About 2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide

2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide (PubChem CID 18145573) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide
PubChem CID18145573
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide
SMILESCC(NC(=O)C(NC(=O)c1ccc(Cl)cc1Cl)C(C)C)c1ccncc1
InChIInChI=1S/C19H21Cl2N3O2/c1-11(2)17(19(26)23-12(3)13-6-8-22-9-7-13)24-18(25)15-5-4-14(20)10-16(15)21/h4-12,17H,1-3H3,(H,23,26)(H,24,25)
InChIKeyOZXNSMVDHRGWTN-UHFFFAOYSA-N
XLogP4.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[3-methyl-1-oxo-1-[2-(pyridin-4-ylmethylidene)hydrazinyl]butan-2-yl]benzamide
CID 4277524
2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 2970246
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384
2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide
CID 78775630
2-chloro-N-[(2S)-1-[1-(3-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-nitrobenzamide
CID 55943592
2-chloro-4-nitro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585316
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9042478
2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 9138352
2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 7613237
N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide
CID 78775760
N-[(2S)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 8927833

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide (CID 18145573) is 2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide is CC(NC(=O)C(NC(=O)c1ccc(Cl)cc1Cl)C(C)C)c1ccncc1.
What is the InChIKey of 2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide?
The InChIKey is OZXNSMVDHRGWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-11(2)17(19(26)23-12(3)13-6-8-22-9-7-13)24-18(25)15-5-4-14(20)10-16(15)21/h4-12,17H,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide?
2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide has a molecular weight of 394.30 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 18145573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).