2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide

C19H21ClN2O2 — CID 42907437

IUPAC2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide
SMILESCCCc1ccc(NC(=O)C(C)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-3-6-14-9-11-15(12-10-14)22-18(23)13(2)21-19(24)16-7-4-5-8-17(16)20/h4-5,7-13H,3,6H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyRWOZTSSGQPNQOP-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.05
Rot. Bonds6

About 2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide

2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide (PubChem CID 42907437) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide
PubChem CID42907437
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide
SMILESCCCc1ccc(NC(=O)C(C)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-3-6-14-9-11-15(12-10-14)22-18(23)13(2)21-19(24)16-7-4-5-8-17(16)20/h4-5,7-13H,3,6H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyRWOZTSSGQPNQOP-UHFFFAOYSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide
CID 43007187
2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 7613421
2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide
CID 177180405
2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 41153673
N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 9038644
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570790
2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 2712046
2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide
CID 46579661
2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide (CID 42907437) is 2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide is CCCc1ccc(NC(=O)C(C)NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide?
The InChIKey is RWOZTSSGQPNQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-3-6-14-9-11-15(12-10-14)22-18(23)13(2)21-19(24)16-7-4-5-8-17(16)20/h4-5,7-13H,3,6H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide?
2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide has a molecular weight of 344.84 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide is sourced from PubChem (CID 42907437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).