N-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide

C21H23F3N2O2 — CID 144890512

IUPACN-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide
SMILESCC1CCC(O)CN(c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2CF)C1
InChIInChI=1S/C21H23F3N2O2/c1-13-2-6-17(27)12-26(11-13)20-8-14(3-4-15(20)10-22)21(28)25-16-5-7-18(23)19(24)9-16/h3-5,7-9,13,17,27H,2,6,10-12H2,1H3,(H,25,28)
InChIKeyRUMIFVFUQKARCU-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.28
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide

N-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide (PubChem CID 144890512) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide
PubChem CID144890512
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide
SMILESCC1CCC(O)CN(c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2CF)C1
InChIInChI=1S/C21H23F3N2O2/c1-13-2-6-17(27)12-26(11-13)20-8-14(3-4-15(20)10-22)21(28)25-16-5-7-18(23)19(24)9-16/h3-5,7-9,13,17,27H,2,6,10-12H2,1H3,(H,25,28)
InChIKeyRUMIFVFUQKARCU-UHFFFAOYSA-N
XLogP4.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-3-(3,6-dihydroxyazepan-1-yl)sulfonyl-4-fluorobenzamide
CID 123196073
N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109049038
N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283469
N-(3,4-difluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683250
N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196527
N-(3-chloro-4-fluorophenyl)-4-(2-fluoroethyl)-3-(4-hydroxyazepan-1-yl)benzamide;formaldehyde
CID 144890678
N-(3,4-difluorophenyl)-4-fluoro-3-(4-hydroxy-5-methylazepan-1-yl)sulfonylbenzamide
CID 118230125
3,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 38117000
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355141
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide (CID 144890512) is N-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide is CC1CCC(O)CN(c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2CF)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide?
The InChIKey is RUMIFVFUQKARCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-13-2-6-17(27)12-26(11-13)20-8-14(3-4-15(20)10-22)21(28)25-16-5-7-18(23)19(24)9-16/h3-5,7-9,13,17,27H,2,6,10-12H2,1H3,(H,25,28).
What are the key properties of N-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide?
N-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide has a molecular weight of 392.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(fluoromethyl)-3-(3-hydroxy-6-methylazepan-1-yl)benzamide is sourced from PubChem (CID 144890512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).