N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide

C26H27ClN4O2 — CID 118723665

IUPACN-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide
SMILESCN1CCCN(c2ccc(C(=O)Nc3ccccc3C(=O)Nc3cccc(Cl)c3)cc2)CC1
InChIInChI=1S/C26H27ClN4O2/c1-30-14-5-15-31(17-16-30)22-12-10-19(11-13-22)25(32)29-24-9-3-2-8-23(24)26(33)28-21-7-4-6-20(27)18-21/h2-4,6-13,18H,5,14-17H2,1H3,(H,28,33)(H,29,32)
InChIKeyHFLHLOXUUALLOY-UHFFFAOYSA-N
MW462.98 g/mol
LogP4.99
Rot. Bonds5

About N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide

N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide (PubChem CID 118723665) has the molecular formula C26H27ClN4O2 and a molecular weight of 462.98 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide
PubChem CID118723665
Molecular FormulaC26H27ClN4O2
Molecular Weight462.98 g/mol
Exact Mass462.18
IUPAC NameN-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide
SMILESCN1CCCN(c2ccc(C(=O)Nc3ccccc3C(=O)Nc3cccc(Cl)c3)cc2)CC1
InChIInChI=1S/C26H27ClN4O2/c1-30-14-5-15-31(17-16-30)22-12-10-19(11-13-22)25(32)29-24-9-3-2-8-23(24)26(33)28-21-7-4-6-20(27)18-21/h2-4,6-13,18H,5,14-17H2,1H3,(H,28,33)(H,29,32)
InChIKeyHFLHLOXUUALLOY-UHFFFAOYSA-N
XLogP4.99
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide with MolForge

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Related Compounds

5-hydroxy-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(4-methylphenyl)benzamide;methane
CID 157128108
N-[2-[(3-chlorophenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 167800033
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
N-[3-hydroxy-2-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
CID 59017240
N-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 2117030
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
3-hydroxy-N-(4-methoxyphenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide;hydrochloride
CID 69442778
N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 59108390
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
CID 12972261
2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide
CID 148620198
6-[(3-chlorobenzoyl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinoline-4-carboxylic acid
CID 50783032

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide (CID 118723665) is N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide is CN1CCCN(c2ccc(C(=O)Nc3ccccc3C(=O)Nc3cccc(Cl)c3)cc2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide?
The InChIKey is HFLHLOXUUALLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2/c1-30-14-5-15-31(17-16-30)22-12-10-19(11-13-22)25(32)29-24-9-3-2-8-23(24)26(33)28-21-7-4-6-20(27)18-21/h2-4,6-13,18H,5,14-17H2,1H3,(H,28,33)(H,29,32).
What are the key properties of N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide?
N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide has a molecular weight of 462.98 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 118723665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).