4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide

C19H21ClN4O2 — CID 17447421

IUPAC4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccccc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C19H21ClN4O2/c20-16-8-4-5-9-17(16)22-18(25)14-23-10-12-24(13-11-23)19(26)21-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,26)(H,22,25)
InChIKeyDXLODSGBUGPQQR-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.13
Rot. Bonds4

About 4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide

4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 17447421) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
PubChem CID17447421
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccccc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C19H21ClN4O2/c20-16-8-4-5-9-17(16)22-18(25)14-23-10-12-24(13-11-23)19(26)21-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,26)(H,22,25)
InChIKeyDXLODSGBUGPQQR-UHFFFAOYSA-N
XLogP3.13
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833675
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide
CID 47109715
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833649
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833652
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
CID 29161558
N-(2-chlorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 78795478
N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9020714

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide (CID 17447421) is 4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide is O=C(CN1CCN(C(=O)Nc2ccccc2)CC1)Nc1ccccc1Cl.
What is the InChIKey of 4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is DXLODSGBUGPQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-16-8-4-5-9-17(16)22-18(25)14-23-10-12-24(13-11-23)19(26)21-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,26)(H,22,25).
What are the key properties of 4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide?
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 17447421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).