2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide

C20H17Cl2N5O3 — CID 55838659

IUPAC2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C20H17Cl2N5O3/c21-13-5-6-16(17(22)9-13)20(30)24-11-18(28)23-12-19(29)26-14-3-1-4-15(10-14)27-8-2-7-25-27/h1-10H,11-12H2,(H,23,28)(H,24,30)(H,26,29)
InChIKeyZXVUBVDHIYFKIB-UHFFFAOYSA-N
MW446.29 g/mol
LogP2.66
Rot. Bonds7

About 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide

2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide (PubChem CID 55838659) has the molecular formula C20H17Cl2N5O3 and a molecular weight of 446.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide
PubChem CID55838659
Molecular FormulaC20H17Cl2N5O3
Molecular Weight446.29 g/mol
Exact Mass445.07
IUPAC Name2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C20H17Cl2N5O3/c21-13-5-6-16(17(22)9-13)20(30)24-11-18(28)23-12-19(29)26-14-3-1-4-15(10-14)27-8-2-7-25-27/h1-10H,11-12H2,(H,23,28)(H,24,30)(H,26,29)
InChIKeyZXVUBVDHIYFKIB-UHFFFAOYSA-N
XLogP2.66
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.29
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634
2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 17492032
2,4-dichloro-N-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]anilino]-2-oxoethyl]benzamide
CID 108768442
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2457198
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119708752
2,4-dichloro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 24637845
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 24599976
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 9413593
N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739948

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide (CID 55838659) is 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide?
The InChIKey is ZXVUBVDHIYFKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5O3/c21-13-5-6-16(17(22)9-13)20(30)24-11-18(28)23-12-19(29)26-14-3-1-4-15(10-14)27-8-2-7-25-27/h1-10H,11-12H2,(H,23,28)(H,24,30)(H,26,29).
What are the key properties of 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide?
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide has a molecular weight of 446.29 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide is sourced from PubChem (CID 55838659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).