2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide

C20H21ClFNO3 — CID 167946105

IUPAC2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide
SMILESCCC(O)(C(=O)NC1CCCOc2ccc(F)cc21)c1cccc(Cl)c1
InChIInChI=1S/C20H21ClFNO3/c1-2-20(25,13-5-3-6-14(21)11-13)19(24)23-17-7-4-10-26-18-9-8-15(22)12-16(17)18/h3,5-6,8-9,11-12,17,25H,2,4,7,10H2,1H3,(H,23,24)
InChIKeyQFFJHUCJJIRQBM-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.11
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide

2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide (PubChem CID 167946105) has the molecular formula C20H21ClFNO3 and a molecular weight of 377.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide
PubChem CID167946105
Molecular FormulaC20H21ClFNO3
Molecular Weight377.84 g/mol
Exact Mass377.12
IUPAC Name2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide
SMILESCCC(O)(C(=O)NC1CCCOc2ccc(F)cc21)c1cccc(Cl)c1
InChIInChI=1S/C20H21ClFNO3/c1-2-20(25,13-5-3-6-14(21)11-13)19(24)23-17-7-4-10-26-18-9-8-15(22)12-16(17)18/h3,5-6,8-9,11-12,17,25H,2,4,7,10H2,1H3,(H,23,24)
InChIKeyQFFJHUCJJIRQBM-UHFFFAOYSA-N
XLogP4.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
(E)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)but-2-enamide
CID 110477991
2-amino-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-3-hydroxypropanamide
CID 110480639
7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43511971
3-[[[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamoyl-methylamino]methyl]benzamide
CID 94578867
(3R)-N-[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,1-dioxothiolane-3-carboxamide
CID 94486404
2-(1,3-dioxoisoindol-2-yl)-N-[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 94486393
N-[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2H-triazole-4-carboxamide
CID 94197661
N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(methylamino)acetamide
CID 120705764
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
CID 110750885
N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 71887483
1-[(6-chloropyridazin-3-yl)amino]-3-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 56798680

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide (CID 167946105) is 2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide is CCC(O)(C(=O)NC1CCCOc2ccc(F)cc21)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide?
The InChIKey is QFFJHUCJJIRQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO3/c1-2-20(25,13-5-3-6-14(21)11-13)19(24)23-17-7-4-10-26-18-9-8-15(22)12-16(17)18/h3,5-6,8-9,11-12,17,25H,2,4,7,10H2,1H3,(H,23,24).
What are the key properties of 2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide?
2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide has a molecular weight of 377.84 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-hydroxybutanamide is sourced from PubChem (CID 167946105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).