N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide

C22H20ClN3O3 — CID 9084498

IUPACN-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClN3O3/c1-29-18-12-10-16(11-13-18)25-21(27)14-24-20-5-3-2-4-19(20)22(28)26-17-8-6-15(23)7-9-17/h2-13,24H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyRXQZRQAMRGFRIP-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.65
Rot. Bonds7

About N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide

N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide (PubChem CID 9084498) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
PubChem CID9084498
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC NameN-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClN3O3/c1-29-18-12-10-16(11-13-18)25-21(27)14-24-20-5-3-2-4-19(20)22(28)26-17-8-6-15(23)7-9-17/h2-13,24H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyRXQZRQAMRGFRIP-UHFFFAOYSA-N
XLogP4.65
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105472
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide
CID 18228642
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
2-(2-ethylanilino)-N-(4-methoxyphenyl)acetamide
CID 26439643
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18267087
N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
CID 78815790
2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide
CID 141405413

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide (CID 9084498) is N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide is COc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is RXQZRQAMRGFRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-29-18-12-10-16(11-13-18)25-21(27)14-24-20-5-3-2-4-19(20)22(28)26-17-8-6-15(23)7-9-17/h2-13,24H,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide?
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 409.87 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 9084498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).