N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide

C19H19FN2O2 — CID 97022969

IUPACN-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
SMILESC[C@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O2/c1-12-10-17(12)19(24)21-11-13-2-4-14(5-3-13)18(23)22-16-8-6-15(20)7-9-16/h2-9,12,17H,10-11H2,1H3,(H,21,24)(H,22,23)/t12-,17-/m0/s1
InChIKeyZXXPSBVGGWANEK-SJCJKPOMSA-N
MW326.37 g/mol
LogP3.35
Rot. Bonds5

About N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide

N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide (PubChem CID 97022969) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
PubChem CID97022969
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
SMILESC[C@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O2/c1-12-10-17(12)19(24)21-11-13-2-4-14(5-3-13)18(23)22-16-8-6-15(20)7-9-16/h2-9,12,17H,10-11H2,1H3,(H,21,24)(H,22,23)/t12-,17-/m0/s1
InChIKeyZXXPSBVGGWANEK-SJCJKPOMSA-N
XLogP3.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide
CID 42953153
methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109136126
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]oxolane-3-carboxamide
CID 71918324
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119311250
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide
CID 71917764

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide (CID 97022969) is N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide is C[C@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide?
The InChIKey is ZXXPSBVGGWANEK-SJCJKPOMSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-10-17(12)19(24)21-11-13-2-4-14(5-3-13)18(23)22-16-8-6-15(20)7-9-16/h2-9,12,17H,10-11H2,1H3,(H,21,24)(H,22,23)/t12-,17-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide?
N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide has a molecular weight of 326.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide is sourced from PubChem (CID 97022969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).