2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide

C22H27ClN2O4 — CID 43007187

IUPAC2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide
SMILESCCCOc1ccc(NC(=O)C(C)NC(=O)c2ccccc2Cl)cc1OCCC
InChIInChI=1S/C22H27ClN2O4/c1-4-12-28-19-11-10-16(14-20(19)29-13-5-2)25-21(26)15(3)24-22(27)17-8-6-7-9-18(17)23/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyZKCZRQFCGMBJIR-UHFFFAOYSA-N
MW418.92 g/mol
LogP4.67
Rot. Bonds10

About 2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide

2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide (PubChem CID 43007187) has the molecular formula C22H27ClN2O4 and a molecular weight of 418.92 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide
PubChem CID43007187
Molecular FormulaC22H27ClN2O4
Molecular Weight418.92 g/mol
Exact Mass418.17
IUPAC Name2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide
SMILESCCCOc1ccc(NC(=O)C(C)NC(=O)c2ccccc2Cl)cc1OCCC
InChIInChI=1S/C22H27ClN2O4/c1-4-12-28-19-11-10-16(14-20(19)29-13-5-2)25-21(26)15(3)24-22(27)17-8-6-7-9-18(17)23/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyZKCZRQFCGMBJIR-UHFFFAOYSA-N
XLogP4.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55350434
2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide
CID 42907437
2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide
CID 46579661
N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 9038644
2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 41153673
2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide
CID 26878655
(2S)-2-amino-N-(3,4-dipropoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119266014
2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 7613421
2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide
CID 24576064
2-bromo-N-[1-[2-[(5-chloro-2-propoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3896973
4-(3-chloro-4-propoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496736
2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 9479366

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide (CID 43007187) is 2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide is CCCOc1ccc(NC(=O)C(C)NC(=O)c2ccccc2Cl)cc1OCCC.
What is the InChIKey of 2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide?
The InChIKey is ZKCZRQFCGMBJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4/c1-4-12-28-19-11-10-16(14-20(19)29-13-5-2)25-21(26)15(3)24-22(27)17-8-6-7-9-18(17)23/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide?
2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide has a molecular weight of 418.92 g/mol, XLogP of 4.67, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 43007187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).