azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone

C20H22ClNO2 — CID 100749219

IUPACazepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
SMILESO=C(c1cccc(OCc2ccccc2Cl)c1)N1CCCCCC1
InChIInChI=1S/C20H22ClNO2/c21-19-11-4-3-8-17(19)15-24-18-10-7-9-16(14-18)20(23)22-12-5-1-2-6-13-22/h3-4,7-11,14H,1-2,5-6,12-13,15H2
InChIKeyRPESYUFNZBQOQC-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.94
Rot. Bonds4

About azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone

azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone (PubChem CID 100749219) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
PubChem CID100749219
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Nameazepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
SMILESO=C(c1cccc(OCc2ccccc2Cl)c1)N1CCCCCC1
InChIInChI=1S/C20H22ClNO2/c21-19-11-4-3-8-17(19)15-24-18-10-7-9-16(14-18)20(23)22-12-5-1-2-6-13-22/h3-4,7-11,14H,1-2,5-6,12-13,15H2
InChIKeyRPESYUFNZBQOQC-UHFFFAOYSA-N
XLogP4.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 100750028
2-(2-chlorophenyl)-1-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 92900858
[3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone
CID 43889704
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952238
2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-(1,4-diazepan-1-yl)ethanone
CID 119416917
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
4-[(2-chlorophenyl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 19916445
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
(3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 119173769
2-[[3-(3-hydroxypiperidine-1-carbonyl)phenoxy]methyl]benzonitrile
CID 110903789

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone?
The IUPAC name of azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone (CID 100749219) is azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone.
What is the SMILES notation for azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone?
The canonical SMILES for azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone is O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone?
The InChIKey is RPESYUFNZBQOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c21-19-11-4-3-8-17(19)15-24-18-10-7-9-16(14-18)20(23)22-12-5-1-2-6-13-22/h3-4,7-11,14H,1-2,5-6,12-13,15H2.
What are the key properties of azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone?
azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone has a molecular weight of 343.85 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 100749219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).