4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide

C19H21ClN4O3 — CID 56761744

IUPAC4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(O)cc1
InChIInChI=1S/C19H21ClN4O3/c20-14-2-1-3-16(12-14)23-8-10-24(11-9-23)19(27)21-13-18(26)22-15-4-6-17(25)7-5-15/h1-7,12,25H,8-11,13H2,(H,21,27)(H,22,26)
InChIKeyOZSWIWVOJIHWKP-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.52
Rot. Bonds4

About 4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 56761744) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide
PubChem CID56761744
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(O)cc1
InChIInChI=1S/C19H21ClN4O3/c20-14-2-1-3-16(12-14)23-8-10-24(11-9-23)19(27)21-13-18(26)22-15-4-6-17(25)7-5-15/h1-7,12,25H,8-11,13H2,(H,21,27)(H,22,26)
InChIKeyOZSWIWVOJIHWKP-UHFFFAOYSA-N
XLogP2.52
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53368887
N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 56761989
4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide
CID 56761915
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)-4-oxobutanamide
CID 3499855
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide (CID 56761744) is 4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide is O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(O)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is OZSWIWVOJIHWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c20-14-2-1-3-16(12-14)23-8-10-24(11-9-23)19(27)21-13-18(26)22-15-4-6-17(25)7-5-15/h1-7,12,25H,8-11,13H2,(H,21,27)(H,22,26).
What are the key properties of 4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 56761744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).