(4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C16H14ClNO2 — CID 3457106

IUPAC(4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCC1COc2ccccc2N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c1-11-10-20-15-5-3-2-4-14(15)18(11)16(19)12-6-8-13(17)9-7-12/h2-9,11H,10H2,1H3
InChIKeyUILNYSZPKJYGPZ-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.77
Rot. Bonds1

About (4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 3457106) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID3457106
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCC1COc2ccccc2N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c1-11-10-20-15-5-3-2-4-14(15)18(11)16(19)12-6-8-13(17)9-7-12/h2-9,11H,10H2,1H3
InChIKeyUILNYSZPKJYGPZ-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[2-(methylamino)phenoxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257265
1-(3-Chlorophenyl)-4-(4-ethoxybenzoyl)piperazine
CID 597213
(4-(3-Chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone
CID 871395
4-(4-Chloro-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1088409
4-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 5295598
3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide; oxalic acid
CID 11102013
N,N-Dibutyl-3-[4-(2-isopropoxy-phenyl)-piperazin-1-ylmethyl]-benzamide
CID 11798397
4-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide;oxalic acid
CID 44350788
2-(4-Chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 873977
2-Methyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 3227578
[3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-methylphenyl)methanone
CID 3554908
4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide
CID 4857924

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 3457106) is (4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is CC1COc2ccccc2N1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is UILNYSZPKJYGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-11-10-20-15-5-3-2-4-14(15)18(11)16(19)12-6-8-13(17)9-7-12/h2-9,11H,10H2,1H3.
What are the key properties of (4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 287.75 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 3457106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).