2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide

C22H17ClN4O2 — CID 9105872

IUPAC2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H17ClN4O2/c23-16-11-10-15(13-24)20(12-16)27-21(28)14-25-19-9-5-4-8-18(19)22(29)26-17-6-2-1-3-7-17/h1-12,25H,14H2,(H,26,29)(H,27,28)
InChIKeyJFAHLZZUUTYZHC-UHFFFAOYSA-N
MW404.86 g/mol
LogP4.51
Rot. Bonds6

About 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide

2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide (PubChem CID 9105872) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide
PubChem CID9105872
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H17ClN4O2/c23-16-11-10-15(13-24)20(12-16)27-21(28)14-25-19-9-5-4-8-18(19)22(29)26-17-6-2-1-3-7-17/h1-12,25H,14H2,(H,26,29)(H,27,28)
InChIKeyJFAHLZZUUTYZHC-UHFFFAOYSA-N
XLogP4.51
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 16553153
N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 87029057
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 64918984
2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide
CID 18228642
N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684093
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
N-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536776
2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-phenylbenzamide
CID 9106026
2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105938
2-(2-acetylanilino)-N-(5-chloro-2-fluorophenyl)acetamide
CID 46633480

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide (CID 9105872) is 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide is N#Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The InChIKey is JFAHLZZUUTYZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c23-16-11-10-15(13-24)20(12-16)27-21(28)14-25-19-9-5-4-8-18(19)22(29)26-17-6-2-1-3-7-17/h1-12,25H,14H2,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide has a molecular weight of 404.86 g/mol, XLogP of 4.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 9105872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).