N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide

C19H20F2N4O2 — CID 119046286

IUPACN-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide
SMILESCC1CN(c2ccccc2F)CCN1C(=O)Nc1ccc(C(N)=O)c(F)c1
InChIInChI=1S/C19H20F2N4O2/c1-12-11-24(17-5-3-2-4-15(17)20)8-9-25(12)19(27)23-13-6-7-14(18(22)26)16(21)10-13/h2-7,10,12H,8-9,11H2,1H3,(H2,22,26)(H,23,27)
InChIKeyZQWJVAMXFMAQBK-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.81
Rot. Bonds3

About N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide

N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide (PubChem CID 119046286) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide
PubChem CID119046286
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC NameN-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide
SMILESCC1CN(c2ccccc2F)CCN1C(=O)Nc1ccc(C(N)=O)c(F)c1
InChIInChI=1S/C19H20F2N4O2/c1-12-11-24(17-5-3-2-4-15(17)20)8-9-25(12)19(27)23-13-6-7-14(18(22)26)16(21)10-13/h2-7,10,12H,8-9,11H2,1H3,(H2,22,26)(H,23,27)
InChIKeyZQWJVAMXFMAQBK-UHFFFAOYSA-N
XLogP2.81
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 86799701
N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide
CID 124846255
(2R)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 95788899
1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 124743461
(2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide
CID 59912798
(2S)-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 67344381
4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3,4-difluorophenyl)-2-methylpiperazine-1-carboxamide
CID 5030971
(2S)-2-methyl-4-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperazine-1-carboxamide
CID 125156301
N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide
CID 154860890
[(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 99830247
5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
CID 136564991
(2S)-N-(4-fluorophenyl)-2-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide;hydrochloride
CID 67344704

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide (CID 119046286) is N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide is CC1CN(c2ccccc2F)CCN1C(=O)Nc1ccc(C(N)=O)c(F)c1.
What is the InChIKey of N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is ZQWJVAMXFMAQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c1-12-11-24(17-5-3-2-4-15(17)20)8-9-25(12)19(27)23-13-6-7-14(18(22)26)16(21)10-13/h2-7,10,12H,8-9,11H2,1H3,(H2,22,26)(H,23,27).
What are the key properties of N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide?
N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 119046286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).