4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide

C18H20ClN3O — CID 113076745

IUPAC4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide
SMILESCc1c(Cl)cccc1N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H20ClN3O/c1-14-16(19)8-5-9-17(14)21-10-12-22(13-11-21)18(23)20-15-6-3-2-4-7-15/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyAORHKOCQYJJTEZ-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.00
Rot. Bonds2

About 4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide

4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 113076745) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide
PubChem CID113076745
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide
SMILESCc1c(Cl)cccc1N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H20ClN3O/c1-14-16(19)8-5-9-17(14)21-10-12-22(13-11-21)18(23)20-15-6-3-2-4-7-15/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyAORHKOCQYJJTEZ-UHFFFAOYSA-N
XLogP4.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide
CID 113080443
4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23849763
4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113113026
4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide
CID 113079371
ethyl 4-[[4-(2-chlorophenyl)piperazine-1-carbonyl]amino]benzoate
CID 1245050
N-[4-[4-(3-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166411849
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 8967746
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 113076731
4-(2-chlorobenzoyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 110811610
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696051

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide (CID 113076745) is 4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide is Cc1c(Cl)cccc1N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is AORHKOCQYJJTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-14-16(19)8-5-9-17(14)21-10-12-22(13-11-21)18(23)20-15-6-3-2-4-7-15/h2-9H,10-13H2,1H3,(H,20,23).
What are the key properties of 4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide?
4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 113076745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).