N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide

C20H15ClN4O2 — CID 91200766

IUPACN-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide
SMILESO=C(C=c1[nH][nH]c(=O)c1=Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O2/c21-13-5-7-14(8-6-13)23-19(26)10-18-16(20(27)25-24-18)9-12-11-22-17-4-2-1-3-15(12)17/h1-11,22,24H,(H,23,26)(H,25,27)
InChIKeyFDVTUSWQCCGZDV-UHFFFAOYSA-N
MW378.82 g/mol
LogP2.09
Rot. Bonds3

About N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide

N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide (PubChem CID 91200766) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide
PubChem CID91200766
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC NameN-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide
SMILESO=C(C=c1[nH][nH]c(=O)c1=Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O2/c21-13-5-7-14(8-6-13)23-19(26)10-18-16(20(27)25-24-18)9-12-11-22-17-4-2-1-3-15(12)17/h1-11,22,24H,(H,23,26)(H,25,27)
InChIKeyFDVTUSWQCCGZDV-UHFFFAOYSA-N
XLogP2.09
TPSA93.54 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one
CID 90956193
4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one
CID 91600485
5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one
CID 91302745
(Z)-N-(4-chlorophenyl)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
CID 760976
3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 171135949
4-(1H-indol-3-ylmethylidene)-2-methyl-5-propan-2-ylidenepyrazolidin-3-one
CID 90777256
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide
CID 136846390
2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 1493686
5-chloro-2-(1H-indol-3-ylmethylidene)-1-benzothiophen-3-one
CID 67028094
(E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide
CID 16878167
(E)-3-(4-chloroanilino)-2-(1H-indole-3-carbonyl)prop-2-enenitrile
CID 102382486

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide (CID 91200766) is N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide is O=C(C=c1[nH][nH]c(=O)c1=Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide?
The InChIKey is FDVTUSWQCCGZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-13-5-7-14(8-6-13)23-19(26)10-18-16(20(27)25-24-18)9-12-11-22-17-4-2-1-3-15(12)17/h1-11,22,24H,(H,23,26)(H,25,27).
What are the key properties of N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide?
N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide has a molecular weight of 378.82 g/mol, XLogP of 2.09, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide is sourced from PubChem (CID 91200766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).