2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide

C17H15ClN2O3 — CID 110404332

IUPAC2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1Oc2ccccc2NC1=O
InChIInChI=1S/C17H15ClN2O3/c18-12-7-5-11(6-8-12)9-16(21)19-10-15-17(22)20-13-3-1-2-4-14(13)23-15/h1-8,15H,9-10H2,(H,19,21)(H,20,22)
InChIKeyYCHUNFGHMVDCMF-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.40
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide

2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide (PubChem CID 110404332) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide
PubChem CID110404332
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1Oc2ccccc2NC1=O
InChIInChI=1S/C17H15ClN2O3/c18-12-7-5-11(6-8-12)9-16(21)19-10-15-17(22)20-13-3-1-2-4-14(13)23-15/h1-8,15H,9-10H2,(H,19,21)(H,20,22)
InChIKeyYCHUNFGHMVDCMF-UHFFFAOYSA-N
XLogP2.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide
CID 110404296
1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide
CID 110404755
1-(4-chlorophenyl)-3-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]thiourea
CID 9317377
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide
CID 110404630
N-[(4-methoxyphenyl)methyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 7481010
2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one
CID 82111928
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8546401
2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide
CID 110404629
N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide
CID 9226903
methyl 4-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzoate
CID 22478824
diethyl-[[4-[[[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]methyl]phenyl]methyl]azanium
CID 8948490
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 8948495

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide (CID 110404332) is 2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCC1Oc2ccccc2NC1=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide?
The InChIKey is YCHUNFGHMVDCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-12-7-5-11(6-8-12)9-16(21)19-10-15-17(22)20-13-3-1-2-4-14(13)23-15/h1-8,15H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide?
2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide has a molecular weight of 330.77 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide is sourced from PubChem (CID 110404332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).