4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide

C18H15ClN2O4 — CID 6547264

IUPAC4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide
SMILES[H]/N=C1\C(=O)OC[C@H]1c1ccc(OC)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O4/c1-24-12-6-7-13(14-9-25-18(23)16(14)20)15(8-12)21-17(22)10-2-4-11(19)5-3-10/h2-8,14,20H,9H2,1H3,(H,21,22)/b20-16-/t14-/m0/s1
InChIKeyPSLSVIFODRTSHC-IXPAQYDLSA-N
MW358.78 g/mol
LogP3.26
Rot. Bonds4

About 4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide

4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide (PubChem CID 6547264) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is 4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide
PubChem CID6547264
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide
SMILES[H]/N=C1\C(=O)OC[C@H]1c1ccc(OC)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O4/c1-24-12-6-7-13(14-9-25-18(23)16(14)20)15(8-12)21-17(22)10-2-4-11(19)5-3-10/h2-8,14,20H,9H2,1H3,(H,21,22)/b20-16-/t14-/m0/s1
InChIKeyPSLSVIFODRTSHC-IXPAQYDLSA-N
XLogP3.26
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide
CID 134868595
4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide
CID 154101050
4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 170458785
2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-5-methoxybenzamide
CID 18727649
4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791
3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide
CID 47408337
N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
CID 2799969
4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide
CID 31966118
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
N-(2-chloro-4-iodophenyl)-4-methoxybenzamide
CID 1370705

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide (CID 6547264) is 4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide is [H]/N=C1\C(=O)OC[C@H]1c1ccc(OC)cc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide?
The InChIKey is PSLSVIFODRTSHC-IXPAQYDLSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-24-12-6-7-13(14-9-25-18(23)16(14)20)15(8-12)21-17(22)10-2-4-11(19)5-3-10/h2-8,14,20H,9H2,1H3,(H,21,22)/b20-16-/t14-/m0/s1.
What are the key properties of 4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide?
4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide has a molecular weight of 358.78 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide is sourced from PubChem (CID 6547264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).