(2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone

C19H19F2N3O3 — CID 137334700

IUPAC(2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCN(C(=O)c3cncc(F)c3)CC2)c1F
InChIInChI=1S/C19H19F2N3O3/c1-27-16-5-2-4-15(17(16)21)19(26)24-7-3-6-23(8-9-24)18(25)13-10-14(20)12-22-11-13/h2,4-5,10-12H,3,6-9H2,1H3
InChIKeyOIFXHVQVBUCHDI-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.36
Rot. Bonds3

About (2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone

(2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone (PubChem CID 137334700) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
PubChem CID137334700
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name(2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCN(C(=O)c3cncc(F)c3)CC2)c1F
InChIInChI=1S/C19H19F2N3O3/c1-27-16-5-2-4-15(17(16)21)19(26)24-7-3-6-23(8-9-24)18(25)13-10-14(20)12-22-11-13/h2,4-5,10-12H,3,6-9H2,1H3
InChIKeyOIFXHVQVBUCHDI-UHFFFAOYSA-N
XLogP2.36
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 108544554
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110798465
3-ethoxy-1-[4-(2-fluoro-3-methoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 137334957
(3-fluoro-4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808459
(4-fluoro-3-methylphenyl)-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110816500
(8-methoxyquinolin-3-yl)-pyrrolidin-1-ylmethanone
CID 110489868
(5-fluoro-3-pyridinyl)-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 124883736
[6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 48680586
[4-(2-methoxy-4,5-dimethylbenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110802901
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108544120
[4-[2-(difluoromethoxy)-3-methoxybenzoyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 78848632

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone (CID 137334700) is (2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone is COc1cccc(C(=O)N2CCCN(C(=O)c3cncc(F)c3)CC2)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is OIFXHVQVBUCHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-27-16-5-2-4-15(17(16)21)19(26)24-7-3-6-23(8-9-24)18(25)13-10-14(20)12-22-11-13/h2,4-5,10-12H,3,6-9H2,1H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone?
(2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 375.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 137334700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).