N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide

C19H21ClN4O2 — CID 53368887

IUPACN-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN4O2/c20-15-5-4-6-16(13-15)22-18(25)14-21-19(26)24-11-9-23(10-12-24)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,21,26)(H,22,25)
InChIKeyWBMPELTUVDCDJT-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.81
Rot. Bonds4

About N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide

N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 53368887) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
PubChem CID53368887
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC NameN-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN4O2/c20-15-5-4-6-16(13-15)22-18(25)14-21-19(26)24-11-9-23(10-12-24)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,21,26)(H,22,25)
InChIKeyWBMPELTUVDCDJT-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide
CID 56761744
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53370700
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-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
N-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395003
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008455
N-(3-chlorophenyl)-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978188
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide (CID 53368887) is N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide is O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is WBMPELTUVDCDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-15-5-4-6-16(13-15)22-18(25)14-21-19(26)24-11-9-23(10-12-24)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,21,26)(H,22,25).
What are the key properties of N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide?
N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 53368887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).