2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one

C19H20BrNO — CID 141404305

IUPAC2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1C(Nc1ccccc1)c1ccccc1Br
InChIInChI=1S/C19H20BrNO/c20-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)22)21-14-8-2-1-3-9-14/h1-4,6,8-10,12,16,19,21H,5,7,11,13H2
InChIKeyGCDFFAPRMINBOP-UHFFFAOYSA-N
MW358.28 g/mol
LogP5.36
Rot. Bonds4

About 2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one

2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one (PubChem CID 141404305) has the molecular formula C19H20BrNO and a molecular weight of 358.28 g/mol. Its IUPAC name is 2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one
PubChem CID141404305
Molecular FormulaC19H20BrNO
Molecular Weight358.28 g/mol
Exact Mass357.07
IUPAC Name2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1C(Nc1ccccc1)c1ccccc1Br
InChIInChI=1S/C19H20BrNO/c20-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)22)21-14-8-2-1-3-9-14/h1-4,6,8-10,12,16,19,21H,5,7,11,13H2
InChIKeyGCDFFAPRMINBOP-UHFFFAOYSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.28
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[anilino-(2-chlorophenyl)methyl]cyclohexan-1-one
CID 74412349
(2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one
CID 948246
(2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one
CID 101375640
(2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one
CID 102187567
(2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one
CID 851711
(2R)-2-[(S)-anilino-[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-one
CID 102075036
2-[(4-methoxyanilino)-phenylmethyl]cycloheptan-1-one
CID 101057458
(2R)-2-[(S)-(4-iodoanilino)-phenylmethyl]cyclopentan-1-one
CID 7034207
(2R)-2-[(1S)-1-(2-bromophenyl)-2-nitroethyl]cyclohexan-1-one
CID 101439579
2-[phenyl-[4-(trifluoromethoxy)anilino]methyl]cyclohexan-1-one
CID 102346346
2-[(S)-anilino-[(1R)-2-oxocyclohexyl]methyl]-5-phenylmethoxypyran-4-one
CID 46837882
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674

Frequently Asked Questions

What is the IUPAC name of 2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one (CID 141404305) is 2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one is O=C1CCCCC1C(Nc1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one?
The InChIKey is GCDFFAPRMINBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO/c20-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)22)21-14-8-2-1-3-9-14/h1-4,6,8-10,12,16,19,21H,5,7,11,13H2.
What are the key properties of 2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one?
2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one has a molecular weight of 358.28 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 141404305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).