(4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone

C19H21FN2O — CID 56906994

IUPAC(4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone
SMILESNC1CCCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C19H21FN2O/c20-17-8-6-14(7-9-17)15-3-1-4-16(13-15)19(23)22-11-2-5-18(21)10-12-22/h1,3-4,6-9,13,18H,2,5,10-12,21H2
InChIKeyUDLAUSNFUAKXHD-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.45
Rot. Bonds2

About (4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone

(4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone (PubChem CID 56906994) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is (4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone.

Molecular Properties

Compound Name(4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone
PubChem CID56906994
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name(4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone
SMILESNC1CCCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C19H21FN2O/c20-17-8-6-14(7-9-17)15-3-1-4-16(13-15)19(23)22-11-2-5-18(21)10-12-22/h1,3-4,6-9,13,18H,2,5,10-12,21H2
InChIKeyUDLAUSNFUAKXHD-UHFFFAOYSA-N
XLogP3.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119373691
(4-aminoazepan-1-yl)-[3-(3-methylthiophen-2-yl)phenyl]methanone;hydrochloride
CID 154906937
[3-(4-fluorophenyl)phenyl]-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]methanone
CID 95707324
[3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 146043610
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
(4-aminopiperidin-1-yl)-(3-iodophenyl)methanone
CID 43556170
[4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-hydroxyphenyl)phenyl]methanone
CID 2106289
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 126484492
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
[4-(3-fluorophenyl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 71032297

Frequently Asked Questions

What is the IUPAC name of (4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone?
The IUPAC name of (4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone (CID 56906994) is (4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone.
What is the SMILES notation for (4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone?
The canonical SMILES for (4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone is NC1CCCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)CC1.
What is the InChIKey of (4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone?
The InChIKey is UDLAUSNFUAKXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-17-8-6-14(7-9-17)15-3-1-4-16(13-15)19(23)22-11-2-5-18(21)10-12-22/h1,3-4,6-9,13,18H,2,5,10-12,21H2.
What are the key properties of (4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone?
(4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone has a molecular weight of 312.39 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone is sourced from PubChem (CID 56906994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).