N-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide

C27H19Cl2N5O2 — CID 53361479

IUPACN-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide
SMILESO=C(Nc1ccc(-n2ccc3c(NC(=O)c4ccccc4)nccc32)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C27H19Cl2N5O2/c28-22-11-8-19(16-23(22)29)32-27(36)31-18-6-9-20(10-7-18)34-15-13-21-24(34)12-14-30-25(21)33-26(35)17-4-2-1-3-5-17/h1-16H,(H,30,33,35)(H2,31,32,36)
InChIKeyZBYNMTDIPGVXCI-UHFFFAOYSA-N
MW516.39 g/mol
LogP7.23
Rot. Bonds5

About N-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide

N-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide (PubChem CID 53361479) has the molecular formula C27H19Cl2N5O2 and a molecular weight of 516.39 g/mol. Its IUPAC name is N-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide
PubChem CID53361479
Molecular FormulaC27H19Cl2N5O2
Molecular Weight516.39 g/mol
Exact Mass515.09
IUPAC NameN-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide
SMILESO=C(Nc1ccc(-n2ccc3c(NC(=O)c4ccccc4)nccc32)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C27H19Cl2N5O2/c28-22-11-8-19(16-23(22)29)32-27(36)31-18-6-9-20(10-7-18)34-15-13-21-24(34)12-14-30-25(21)33-26(35)17-4-2-1-3-5-17/h1-16H,(H,30,33,35)(H2,31,32,36)
InChIKeyZBYNMTDIPGVXCI-UHFFFAOYSA-N
XLogP7.23
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.39
LogP ≤ 57.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide 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-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide?
The IUPAC name of N-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide (CID 53361479) is N-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide.
What is the SMILES notation for N-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide?
The canonical SMILES for N-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide is O=C(Nc1ccc(-n2ccc3c(NC(=O)c4ccccc4)nccc32)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide?
The InChIKey is ZBYNMTDIPGVXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2N5O2/c28-22-11-8-19(16-23(22)29)32-27(36)31-18-6-9-20(10-7-18)34-15-13-21-24(34)12-14-30-25(21)33-26(35)17-4-2-1-3-5-17/h1-16H,(H,30,33,35)(H2,31,32,36).
What are the key properties of N-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide?
N-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide has a molecular weight of 516.39 g/mol, XLogP of 7.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide is sourced from PubChem (CID 53361479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).