4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide

C24H19ClN4O3 — CID 154851498

IUPAC4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
SMILESO=C(NC(C(=O)Nc1ccn[nH]1)c1ccccc1)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C24H19ClN4O3/c25-19-8-4-5-9-20(19)32-18-12-10-17(11-13-18)23(30)28-22(16-6-2-1-3-7-16)24(31)27-21-14-15-26-29-21/h1-15,22H,(H,28,30)(H2,26,27,29,31)
InChIKeyNVOJBGRJMWLZAT-UHFFFAOYSA-N
MW446.89 g/mol
LogP4.97
Rot. Bonds7

About 4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide

4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide (PubChem CID 154851498) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
PubChem CID154851498
Molecular FormulaC24H19ClN4O3
Molecular Weight446.89 g/mol
Exact Mass446.11
IUPAC Name4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
SMILESO=C(NC(C(=O)Nc1ccn[nH]1)c1ccccc1)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C24H19ClN4O3/c25-19-8-4-5-9-20(19)32-18-12-10-17(11-13-18)23(30)28-22(16-6-2-1-3-7-16)24(31)27-21-14-15-26-29-21/h1-15,22H,(H,28,30)(H2,26,27,29,31)
InChIKeyNVOJBGRJMWLZAT-UHFFFAOYSA-N
XLogP4.97
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide
CID 95331365
2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
CID 95282131
N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide
CID 122144672
(2R)-2-[[2-(2-methylphenyl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 95151754
(2S)-2-[[2-(2-methylphenyl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 95151753
2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide
CID 124609043
2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide
CID 119878696
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
(E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide
CID 75364810
(2S)-2-[4-(2-chlorophenoxy)anilino]-2-phenylacetamide
CID 25344822
(2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide
CID 120646335
N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119878694

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide (CID 154851498) is 4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide is O=C(NC(C(=O)Nc1ccn[nH]1)c1ccccc1)c1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide?
The InChIKey is NVOJBGRJMWLZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c25-19-8-4-5-9-20(19)32-18-12-10-17(11-13-18)23(30)28-22(16-6-2-1-3-7-16)24(31)27-21-14-15-26-29-21/h1-15,22H,(H,28,30)(H2,26,27,29,31).
What are the key properties of 4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide?
4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide has a molecular weight of 446.89 g/mol, XLogP of 4.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide is sourced from PubChem (CID 154851498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).