(2-anilinophenyl)-(azepan-1-yl)methanone

C19H22N2O — CID 25352843

IUPAC(2-anilinophenyl)-(azepan-1-yl)methanone
SMILESO=C(c1ccccc1Nc1ccccc1)N1CCCCCC1
InChIInChI=1S/C19H22N2O/c22-19(21-14-8-1-2-9-15-21)17-12-6-7-13-18(17)20-16-10-4-3-5-11-16/h3-7,10-13,20H,1-2,8-9,14-15H2
InChIKeyFGJZNCOWLSVENQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.45
Rot. Bonds3

About (2-anilinophenyl)-(azepan-1-yl)methanone

(2-anilinophenyl)-(azepan-1-yl)methanone (PubChem CID 25352843) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (2-anilinophenyl)-(azepan-1-yl)methanone.

Molecular Properties

Compound Name(2-anilinophenyl)-(azepan-1-yl)methanone
PubChem CID25352843
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(2-anilinophenyl)-(azepan-1-yl)methanone
SMILESO=C(c1ccccc1Nc1ccccc1)N1CCCCCC1
InChIInChI=1S/C19H22N2O/c22-19(21-14-8-1-2-9-15-21)17-12-6-7-13-18(17)20-16-10-4-3-5-11-16/h3-7,10-13,20H,1-2,8-9,14-15H2
InChIKeyFGJZNCOWLSVENQ-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306
azepan-1-yl-[2-[4-(difluoromethylsulfanyl)anilino]phenyl]methanone
CID 2313407
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
(2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27799750
3-anilino-4-[2-hydroxy-3-(pyrrolidine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione
CID 59068176
[4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46399270
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid
CID 50969463
(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395281
(2-anilinophenyl)-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 25332419

Frequently Asked Questions

What is the IUPAC name of (2-anilinophenyl)-(azepan-1-yl)methanone?
The IUPAC name of (2-anilinophenyl)-(azepan-1-yl)methanone (CID 25352843) is (2-anilinophenyl)-(azepan-1-yl)methanone.
What is the SMILES notation for (2-anilinophenyl)-(azepan-1-yl)methanone?
The canonical SMILES for (2-anilinophenyl)-(azepan-1-yl)methanone is O=C(c1ccccc1Nc1ccccc1)N1CCCCCC1.
What is the InChIKey of (2-anilinophenyl)-(azepan-1-yl)methanone?
The InChIKey is FGJZNCOWLSVENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19(21-14-8-1-2-9-15-21)17-12-6-7-13-18(17)20-16-10-4-3-5-11-16/h3-7,10-13,20H,1-2,8-9,14-15H2.
What are the key properties of (2-anilinophenyl)-(azepan-1-yl)methanone?
(2-anilinophenyl)-(azepan-1-yl)methanone has a molecular weight of 294.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinophenyl)-(azepan-1-yl)methanone is sourced from PubChem (CID 25352843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).