N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide

C17H16BrN3O3 — CID 22647718

IUPACN-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
SMILESCN1CCOc2cc(C(=O)NC(=O)Nc3cccc(Br)c3)ccc21
InChIInChI=1S/C17H16BrN3O3/c1-21-7-8-24-15-9-11(5-6-14(15)21)16(22)20-17(23)19-13-4-2-3-12(18)10-13/h2-6,9-10H,7-8H2,1H3,(H2,19,20,22,23)
InChIKeyQCIOXVXREYECSX-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.24
Rot. Bonds2

About N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide

N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide (PubChem CID 22647718) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
PubChem CID22647718
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC NameN-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
SMILESCN1CCOc2cc(C(=O)NC(=O)Nc3cccc(Br)c3)ccc21
InChIInChI=1S/C17H16BrN3O3/c1-21-7-8-24-15-9-11(5-6-14(15)21)16(22)20-17(23)19-13-4-2-3-12(18)10-13/h2-6,9-10H,7-8H2,1H3,(H2,19,20,22,23)
InChIKeyQCIOXVXREYECSX-UHFFFAOYSA-N
XLogP3.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412575
3,4-dimethyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412589
4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412576
2-bromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412580
N-[(3-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 22647708
2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 167856806
1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea
CID 85468724
1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866595
4-methyl-N-[(1R,2S)-2-(oxan-4-ylamino)cyclobutyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 133132511
3-[(4-carboxybenzoyl)carbamoylamino]benzoic acid
CID 139741227
4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110744732
3-fluoro-5-formyl-4-hydroxy-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 155143635

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide (CID 22647718) is N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide is CN1CCOc2cc(C(=O)NC(=O)Nc3cccc(Br)c3)ccc21.
What is the InChIKey of N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
The InChIKey is QCIOXVXREYECSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-21-7-8-24-15-9-11(5-6-14(15)21)16(22)20-17(23)19-13-4-2-3-12(18)10-13/h2-6,9-10H,7-8H2,1H3,(H2,19,20,22,23).
What are the key properties of N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide has a molecular weight of 390.24 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 22647718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).