2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide

C21H23ClN2O6 — CID 118648786

IUPAC2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@]2(O)CO[C@H](CNC(=O)c3ccccc3Cl)[C@H]2O)cc1
InChIInChI=1S/C21H23ClN2O6/c1-29-14-8-6-13(7-9-14)19(26)24-11-21(28)12-30-17(18(21)25)10-23-20(27)15-4-2-3-5-16(15)22/h2-9,17-18,25,28H,10-12H2,1H3,(H,23,27)(H,24,26)/t17-,18-,21+/m1/s1
InChIKeyVYUXUFXAMJJYCN-OPYAIIAOSA-N
MW434.88 g/mol
LogP1.00
Rot. Bonds7

About 2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide

2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide (PubChem CID 118648786) has the molecular formula C21H23ClN2O6 and a molecular weight of 434.88 g/mol. Its IUPAC name is 2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide
PubChem CID118648786
Molecular FormulaC21H23ClN2O6
Molecular Weight434.88 g/mol
Exact Mass434.12
IUPAC Name2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@]2(O)CO[C@H](CNC(=O)c3ccccc3Cl)[C@H]2O)cc1
InChIInChI=1S/C21H23ClN2O6/c1-29-14-8-6-13(7-9-14)19(26)24-11-21(28)12-30-17(18(21)25)10-23-20(27)15-4-2-3-5-16(15)22/h2-9,17-18,25,28H,10-12H2,1H3,(H,23,27)(H,24,26)/t17-,18-,21+/m1/s1
InChIKeyVYUXUFXAMJJYCN-OPYAIIAOSA-N
XLogP1.00
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide
CID 118652260
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-4,6-dichloropyridine-3-carboxamide
CID 129185589
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide
CID 118652204
N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-phenylbenzoyl)amino]methyl]oxolan-2-yl]methyl]pyridazine-4-carboxamide
CID 118652064
N-[[(3aS,6R,6aR)-6-[[(2-chlorobenzoyl)amino]methyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridine-4-carboxamide
CID 118652009
N-[[(2R,3R,4S)-4-(2-benzamidoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide
CID 129206718
N-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 129185581
N-[[(2R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 118652223
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide
CID 86081867
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide
CID 113257087

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide (CID 118648786) is 2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide is COc1ccc(C(=O)NC[C@]2(O)CO[C@H](CNC(=O)c3ccccc3Cl)[C@H]2O)cc1.
What is the InChIKey of 2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide?
The InChIKey is VYUXUFXAMJJYCN-OPYAIIAOSA-N. The full InChI is InChI=1S/C21H23ClN2O6/c1-29-14-8-6-13(7-9-14)19(26)24-11-21(28)12-30-17(18(21)25)10-23-20(27)15-4-2-3-5-16(15)22/h2-9,17-18,25,28H,10-12H2,1H3,(H,23,27)(H,24,26)/t17-,18-,21+/m1/s1.
What are the key properties of 2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide?
2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide has a molecular weight of 434.88 g/mol, XLogP of 1.00, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 118648786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).