N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide

C19H19ClFN3O2 — CID 47049586

IUPACN-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1F
InChIInChI=1S/C19H19ClFN3O2/c1-13-2-3-14(12-17(13)21)18(25)23-8-10-24(11-9-23)19(26)22-16-6-4-15(20)5-7-16/h2-7,12H,8-11H2,1H3,(H,22,26)
InChIKeyGWBMIXNMXHFKRG-UHFFFAOYSA-N
MW375.83 g/mol
LogP3.78
Rot. Bonds2

About N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide (PubChem CID 47049586) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide
PubChem CID47049586
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC NameN-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1F
InChIInChI=1S/C19H19ClFN3O2/c1-13-2-3-14(12-17(13)21)18(25)23-8-10-24(11-9-23)19(26)22-16-6-4-15(20)5-7-16/h2-7,12H,8-11H2,1H3,(H,22,26)
InChIKeyGWBMIXNMXHFKRG-UHFFFAOYSA-N
XLogP3.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
N-(3-chloro-4-fluorophenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 52683910
N-(3,4-difluorophenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 55839650
N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55959407
[4-[3-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 166225701
N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide
CID 75370481
4-[[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]amino]butanoic acid
CID 122021551
N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide
CID 110812798
N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 55879539
[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methanone
CID 119046124
N-(3-chloro-4-methoxyphenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 60514235
N-[3-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166412079

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide (CID 47049586) is N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide is Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1F.
What is the InChIKey of N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide?
The InChIKey is GWBMIXNMXHFKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c1-13-2-3-14(12-17(13)21)18(25)23-8-10-24(11-9-23)19(26)22-16-6-4-15(20)5-7-16/h2-7,12H,8-11H2,1H3,(H,22,26).
What are the key properties of N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide has a molecular weight of 375.83 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 47049586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).