N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C22H17ClN2O3 — CID 55372147

IUPACN-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)NC(c3ccccc3)c3ccc(Cl)cc3)ccc2N1
InChIInChI=1S/C22H17ClN2O3/c23-17-9-6-15(7-10-17)21(14-4-2-1-3-5-14)25-22(27)16-8-11-18-19(12-16)28-13-20(26)24-18/h1-12,21H,13H2,(H,24,26)(H,25,27)
InChIKeyYJEPMSSOEXWNRF-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.19
Rot. Bonds4

About N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 55372147) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID55372147
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)NC(c3ccccc3)c3ccc(Cl)cc3)ccc2N1
InChIInChI=1S/C22H17ClN2O3/c23-17-9-6-15(7-10-17)21(14-4-2-1-3-5-14)25-22(27)16-8-11-18-19(12-16)28-13-20(26)24-18/h1-12,21H,13H2,(H,24,26)(H,25,27)
InChIKeyYJEPMSSOEXWNRF-UHFFFAOYSA-N
XLogP4.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 31966312
N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 126444506
7-(4-chlorobenzoyl)-4H-1,4-benzoxazin-3-one
CID 3087782
(3R)-3-(4-fluorophenyl)-3-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoic acid
CID 125147633
3-oxo-N-[phenyl(pyridin-2-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide
CID 134021250
3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 59802754
N-benzhydryl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784603
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17445442
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 25338126
N-[1-(4-tert-butylphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 134043362
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 39968289
N-(1-hydroxypropan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418628

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 55372147) is N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is O=C1COc2cc(C(=O)NC(c3ccccc3)c3ccc(Cl)cc3)ccc2N1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is YJEPMSSOEXWNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c23-17-9-6-15(7-10-17)21(14-4-2-1-3-5-14)25-22(27)16-8-11-18-19(12-16)28-13-20(26)24-18/h1-12,21H,13H2,(H,24,26)(H,25,27).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 392.84 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 55372147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).