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

C19H20Cl2N4O2 — CID 56761989

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C19H20Cl2N4O2/c20-14-4-3-5-15(12-14)24-8-10-25(11-9-24)19(27)22-13-18(26)23-17-7-2-1-6-16(17)21/h1-7,12H,8-11,13H2,(H,22,27)(H,23,26)
InChIKeyVLDZYAIQGKHNEB-UHFFFAOYSA-N
MW407.30 g/mol
LogP3.46
Rot. Bonds4

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

N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide (PubChem CID 56761989) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
PubChem CID56761989
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C19H20Cl2N4O2/c20-14-4-3-5-15(12-14)24-8-10-25(11-9-24)19(27)22-13-18(26)23-17-7-2-1-6-16(17)21/h1-7,12H,8-11,13H2,(H,22,27)(H,23,26)
InChIKeyVLDZYAIQGKHNEB-UHFFFAOYSA-N
XLogP3.46
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53368887
4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide
CID 56761744
4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide
CID 56761915
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
N-(3-chloro-2-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949428
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-cyanophenyl)-3-oxopropanamide
CID 108950654

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide (CID 56761989) is N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide is O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is VLDZYAIQGKHNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c20-14-4-3-5-15(12-14)24-8-10-25(11-9-24)19(27)22-13-18(26)23-17-7-2-1-6-16(17)21/h1-7,12H,8-11,13H2,(H,22,27)(H,23,26).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 407.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56761989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).