N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide

C17H17Cl2N3O — CID 2992397

IUPACN-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H17Cl2N3O/c18-13-4-3-5-14(12-13)21-8-10-22(11-9-21)17(23)20-16-7-2-1-6-15(16)19/h1-7,12H,8-11H2,(H,20,23)
InChIKeyBGFAOCMZEUKCEU-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.35
Rot. Bonds2

About N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide

N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide (PubChem CID 2992397) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
PubChem CID2992397
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC NameN-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H17Cl2N3O/c18-13-4-3-5-14(12-13)21-8-10-22(11-9-21)17(23)20-16-7-2-1-6-15(16)19/h1-7,12H,8-11H2,(H,20,23)
InChIKeyBGFAOCMZEUKCEU-UHFFFAOYSA-N
XLogP4.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 56761989
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
N-(2-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 6466390
4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide
CID 7595794
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113096
4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663039
N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108867549
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide (CID 2992397) is N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is BGFAOCMZEUKCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-13-4-3-5-14(12-13)21-8-10-22(11-9-21)17(23)20-16-7-2-1-6-15(16)19/h1-7,12H,8-11H2,(H,20,23).
What are the key properties of N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 350.25 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 2992397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).