4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide

C27H24ClFN2O4 — CID 55945591

IUPAC4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C27H24ClFN2O4/c1-35-25-11-8-20(15-23(25)31-27(34)21-9-7-19(28)14-22(21)29)30-26(33)12-10-24(32)18-6-5-16-3-2-4-17(16)13-18/h5-9,11,13-15H,2-4,10,12H2,1H3,(H,30,33)(H,31,34)
InChIKeyOGUPMONTBQOQHP-UHFFFAOYSA-N
MW494.95 g/mol
LogP5.83
Rot. Bonds8

About 4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide

4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide (PubChem CID 55945591) has the molecular formula C27H24ClFN2O4 and a molecular weight of 494.95 g/mol. Its IUPAC name is 4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide
PubChem CID55945591
Molecular FormulaC27H24ClFN2O4
Molecular Weight494.95 g/mol
Exact Mass494.14
IUPAC Name4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C27H24ClFN2O4/c1-35-25-11-8-20(15-23(25)31-27(34)21-9-7-19(28)14-22(21)29)30-26(33)12-10-24(32)18-6-5-16-3-2-4-17(16)13-18/h5-9,11,13-15H,2-4,10,12H2,1H3,(H,30,33)(H,31,34)
InChIKeyOGUPMONTBQOQHP-UHFFFAOYSA-N
XLogP5.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.95
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide
CID 55890068
4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide
CID 55890582
4-chloro-2-fluoro-N-[2-methoxy-5-[3-(2-methylpropoxy)propanoylamino]phenyl]benzamide
CID 55889049
4-chloro-2-fluoro-N-[2-methoxy-5-(4-phenoxybutanoylamino)phenyl]benzamide
CID 55890069
N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide
CID 55945079
N-(2-methoxy-5-methylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9215408
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide
CID 52701788
N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26889665
4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide
CID 52701764
4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide
CID 55890330
4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide
CID 55888660
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxobutanamide
CID 55585146

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide (CID 55945591) is 4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide is COc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide?
The InChIKey is OGUPMONTBQOQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN2O4/c1-35-25-11-8-20(15-23(25)31-27(34)21-9-7-19(28)14-22(21)29)30-26(33)12-10-24(32)18-6-5-16-3-2-4-17(16)13-18/h5-9,11,13-15H,2-4,10,12H2,1H3,(H,30,33)(H,31,34).
What are the key properties of 4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide?
4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide has a molecular weight of 494.95 g/mol, XLogP of 5.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide is sourced from PubChem (CID 55945591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).