N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C22H16ClN3O4 — CID 31966312

IUPACN-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)Nc3ccccc3NC(=O)c3ccc(Cl)cc3)ccc2N1
InChIInChI=1S/C22H16ClN3O4/c23-15-8-5-13(6-9-15)21(28)25-16-3-1-2-4-17(16)26-22(29)14-7-10-18-19(11-14)30-12-20(27)24-18/h1-11H,12H2,(H,24,27)(H,25,28)(H,26,29)
InChIKeyYRTIYRMJLQYBAA-UHFFFAOYSA-N
MW421.84 g/mol
LogP4.18
Rot. Bonds4

About N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 31966312) has the molecular formula C22H16ClN3O4 and a molecular weight of 421.84 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID31966312
Molecular FormulaC22H16ClN3O4
Molecular Weight421.84 g/mol
Exact Mass421.08
IUPAC NameN-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)Nc3ccccc3NC(=O)c3ccc(Cl)cc3)ccc2N1
InChIInChI=1S/C22H16ClN3O4/c23-15-8-5-13(6-9-15)21(28)25-16-3-1-2-4-17(16)26-22(29)14-7-10-18-19(11-14)30-12-20(27)24-18/h1-11H,12H2,(H,24,27)(H,25,28)(H,26,29)
InChIKeyYRTIYRMJLQYBAA-UHFFFAOYSA-N
XLogP4.18
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55372147
7-(4-chlorobenzoyl)-4H-1,4-benzoxazin-3-one
CID 3087782
3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
CID 61393673
N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763814
N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86929686
7-benzoyl-4H-1,4-benzoxazin-3-one
CID 3087778
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
(4-benzamidophenyl) 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 26702173
N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55027632
3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
CID 131946239
N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 27335225
N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55972511

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 31966312) is N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is O=C1COc2cc(C(=O)Nc3ccccc3NC(=O)c3ccc(Cl)cc3)ccc2N1.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is YRTIYRMJLQYBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O4/c23-15-8-5-13(6-9-15)21(28)25-16-3-1-2-4-17(16)26-22(29)14-7-10-18-19(11-14)30-12-20(27)24-18/h1-11H,12H2,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 421.84 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 31966312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).