N-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide

C34H37FN6O4 — CID 168935250

IUPACN-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nc3n4c(cnc(N)c24)/C=C/CCOCCC(=O)N[C@@H]2CCC[C@@H]3C2)cc1
InChIInChI=1S/C34H37FN6O4/c1-44-28-13-12-24(35)18-27(28)34(43)38-19-21-8-10-22(11-9-21)30-31-32(36)37-20-26-7-2-3-15-45-16-14-29(42)39-25-6-4-5-23(17-25)33(40-30)41(26)31/h2,7-13,18,20,23,25H,3-6,14-17,19H2,1H3,(H2,36,37)(H,38,43)(H,39,42)/b7-2+/t23-,25-/m1/s1
InChIKeyAPXSJDXQZBEHGG-UZTVYNNJSA-N
MW612.71 g/mol
LogP5.02
Rot. Bonds5

About N-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide

N-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide (PubChem CID 168935250) has the molecular formula C34H37FN6O4 and a molecular weight of 612.71 g/mol. Its IUPAC name is N-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
PubChem CID168935250
Molecular FormulaC34H37FN6O4
Molecular Weight612.71 g/mol
Exact Mass612.29
IUPAC NameN-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nc3n4c(cnc(N)c24)/C=C/CCOCCC(=O)N[C@@H]2CCC[C@@H]3C2)cc1
InChIInChI=1S/C34H37FN6O4/c1-44-28-13-12-24(35)18-27(28)34(43)38-19-21-8-10-22(11-9-21)30-31-32(36)37-20-26-7-2-3-15-45-16-14-29(42)39-25-6-4-5-23(17-25)33(40-30)41(26)31/h2,7-13,18,20,23,25H,3-6,14-17,19H2,1H3,(H2,36,37)(H,38,43)(H,39,42)/b7-2+/t23-,25-/m1/s1
InChIKeyAPXSJDXQZBEHGG-UZTVYNNJSA-N
XLogP5.02
TPSA132.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.71
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide 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 N-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide (CID 168935250) is N-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NCc1ccc(-c2nc3n4c(cnc(N)c24)/C=C/CCOCCC(=O)N[C@@H]2CCC[C@@H]3C2)cc1.
What is the InChIKey of N-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide?
The InChIKey is APXSJDXQZBEHGG-UZTVYNNJSA-N. The full InChI is InChI=1S/C34H37FN6O4/c1-44-28-13-12-24(35)18-27(28)34(43)38-19-21-8-10-22(11-9-21)30-31-32(36)37-20-26-7-2-3-15-45-16-14-29(42)39-25-6-4-5-23(17-25)33(40-30)41(26)31/h2,7-13,18,20,23,25H,3-6,14-17,19H2,1H3,(H2,36,37)(H,38,43)(H,39,42)/b7-2+/t23-,25-/m1/s1.
What are the key properties of N-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide?
N-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide has a molecular weight of 612.71 g/mol, XLogP of 5.02, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2R,6R,14E)-19-amino-8-oxo-11-oxa-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 168935250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).