N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide

C20H21FN2O2 — CID 50758149

IUPACN-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
SMILESCC(C(=O)NCc1cccc(F)c1)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C20H21FN2O2/c1-14(20(25)22-13-15-6-4-9-17(21)12-15)23-18-10-3-2-7-16(18)8-5-11-19(23)24/h2-4,6-7,9-10,12,14H,5,8,11,13H2,1H3,(H,22,25)
InChIKeyBNFLDXVBPVOZGH-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.20
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide

N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide (PubChem CID 50758149) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
PubChem CID50758149
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
SMILESCC(C(=O)NCc1cccc(F)c1)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C20H21FN2O2/c1-14(20(25)22-13-15-6-4-9-17(21)12-15)23-18-10-3-2-7-16(18)8-5-11-19(23)24/h2-4,6-7,9-10,12,14H,5,8,11,13H2,1H3,(H,22,25)
InChIKeyBNFLDXVBPVOZGH-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-fluorophenyl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 110211041
(2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 100831120
(2S)-N-benzyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92742614
(2S)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92742616
(2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 92886787
(2S)-N-[3-(cyclopropylamino)-3-oxopropyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 100831171
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 46646494
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 92886794
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 100831102
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
2-[(3-fluorophenyl)methylcarbamoyl]-3-methylbutanoic acid
CID 115186223
N-[(2-chlorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 50758024

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide (CID 50758149) is N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide is CC(C(=O)NCc1cccc(F)c1)N1C(=O)CCCc2ccccc21.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide?
The InChIKey is BNFLDXVBPVOZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14(20(25)22-13-15-6-4-9-17(21)12-15)23-18-10-3-2-7-16(18)8-5-11-19(23)24/h2-4,6-7,9-10,12,14H,5,8,11,13H2,1H3,(H,22,25).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide?
N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide has a molecular weight of 340.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide is sourced from PubChem (CID 50758149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).