N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide

C18H19ClFN3O — CID 113113096

IUPACN-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C18H19ClFN3O/c1-13-16(19)6-3-7-17(13)21-18(24)23-10-8-22(9-11-23)15-5-2-4-14(20)12-15/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyKHIZZYHYOZLHDU-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.14
Rot. Bonds2

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

N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 113113096) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
PubChem CID113113096
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC NameN-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C18H19ClFN3O/c1-13-16(19)6-3-7-17(13)21-18(24)23-10-8-22(9-11-23)15-5-2-4-14(20)12-15/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyKHIZZYHYOZLHDU-UHFFFAOYSA-N
XLogP4.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113392
N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111834
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
N-(3-chloro-2-methylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949524
N-(3-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902560
N-(3-chloro-2-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949428
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
N-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113496
N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114029
N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114224
N-(2,3-dimethylphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111604
N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113113082

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide (CID 113113096) is N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide is Cc1c(Cl)cccc1NC(=O)N1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is KHIZZYHYOZLHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c1-13-16(19)6-3-7-17(13)21-18(24)23-10-8-22(9-11-23)15-5-2-4-14(20)12-15/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 347.82 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).