4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide

C19H21ClFN3O — CID 113107485

IUPAC4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCc1cc(Cl)ccc1N1CCN(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C19H21ClFN3O/c1-14-12-16(20)6-7-18(14)23-8-10-24(11-9-23)19(25)22-13-15-4-2-3-5-17(15)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyDPVPNPGVCHZOPR-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.82
Rot. Bonds3

About 4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide

4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 113107485) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID113107485
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCc1cc(Cl)ccc1N1CCN(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C19H21ClFN3O/c1-14-12-16(20)6-7-18(14)23-8-10-24(11-9-23)19(25)22-13-15-4-2-3-5-17(15)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyDPVPNPGVCHZOPR-UHFFFAOYSA-N
XLogP3.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113107799
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106748
4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 119069802
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 113108277
4-(5-chloro-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108091
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 6467007
4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106958
N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113106629
4-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109046

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide (CID 113107485) is 4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide is Cc1cc(Cl)ccc1N1CCN(C(=O)NCc2ccccc2F)CC1.
What is the InChIKey of 4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is DPVPNPGVCHZOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c1-14-12-16(20)6-7-18(14)23-8-10-24(11-9-23)19(25)22-13-15-4-2-3-5-17(15)21/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of 4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 361.85 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113107485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).