1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide

C23H24Cl2N2O7 — CID 145201618

IUPAC1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)N[C@H]3C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)cn(Cc3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C23H24Cl2N2O7/c1-33-12-3-4-13-14(22(31)26-19-21(30)20(29)18(10-28)34-23(19)32)9-27(17(13)7-12)8-11-2-5-15(24)16(25)6-11/h2-7,9,18-21,23,28-30,32H,8,10H2,1H3,(H,26,31)/t18-,19-,20-,21-,23?/m1/s1
InChIKeyJHYYSEGTZADVER-OPMOUVDSSA-N
MW511.36 g/mol
LogP1.53
Rot. Bonds6

About 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide

1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide (PubChem CID 145201618) has the molecular formula C23H24Cl2N2O7 and a molecular weight of 511.36 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide
PubChem CID145201618
Molecular FormulaC23H24Cl2N2O7
Molecular Weight511.36 g/mol
Exact Mass510.10
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)N[C@H]3C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)cn(Cc3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C23H24Cl2N2O7/c1-33-12-3-4-13-14(22(31)26-19-21(30)20(29)18(10-28)34-23(19)32)9-27(17(13)7-12)8-11-2-5-15(24)16(25)6-11/h2-7,9,18-21,23,28-30,32H,8,10H2,1H3,(H,26,31)/t18-,19-,20-,21-,23?/m1/s1
InChIKeyJHYYSEGTZADVER-OPMOUVDSSA-N
XLogP1.53
TPSA133.41 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.36
LogP ≤ 51.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide (CID 145201618) is 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide is COc1ccc2c(C(=O)N[C@H]3C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)cn(Cc3ccc(Cl)c(Cl)c3)c2c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide?
The InChIKey is JHYYSEGTZADVER-OPMOUVDSSA-N. The full InChI is InChI=1S/C23H24Cl2N2O7/c1-33-12-3-4-13-14(22(31)26-19-21(30)20(29)18(10-28)34-23(19)32)9-27(17(13)7-12)8-11-2-5-15(24)16(25)6-11/h2-7,9,18-21,23,28-30,32H,8,10H2,1H3,(H,26,31)/t18-,19-,20-,21-,23?/m1/s1.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide has a molecular weight of 511.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide is sourced from PubChem (CID 145201618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).