N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide

C28H18ClF3N4O2 — CID 53361480

IUPACN-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-n2ccc3c(NC(=O)c4ccccc4)nccc32)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C28H18ClF3N4O2/c29-23-11-6-18(16-22(23)28(30,31)32)27(38)34-19-7-9-20(10-8-19)36-15-13-21-24(36)12-14-33-25(21)35-26(37)17-4-2-1-3-5-17/h1-16H,(H,34,38)(H,33,35,37)
InChIKeyFDTVZGCGBOKBGT-UHFFFAOYSA-N
MW534.93 g/mol
LogP7.20
Rot. Bonds5

About N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide

N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide (PubChem CID 53361480) has the molecular formula C28H18ClF3N4O2 and a molecular weight of 534.93 g/mol. Its IUPAC name is N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide
PubChem CID53361480
Molecular FormulaC28H18ClF3N4O2
Molecular Weight534.93 g/mol
Exact Mass534.11
IUPAC NameN-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-n2ccc3c(NC(=O)c4ccccc4)nccc32)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C28H18ClF3N4O2/c29-23-11-6-18(16-22(23)28(30,31)32)27(38)34-19-7-9-20(10-8-19)36-15-13-21-24(36)12-14-33-25(21)35-26(37)17-4-2-1-3-5-17/h1-16H,(H,34,38)(H,33,35,37)
InChIKeyFDTVZGCGBOKBGT-UHFFFAOYSA-N
XLogP7.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.93
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide 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

3-(2-aminoquinazolin-6-yl)-4-chloro-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 11683692
N-[4-(4-Benzoylamino-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]-4-(4-morpholin-4-yl)-3-trifluoromethylbenzamide
CID 53361478
N-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide
CID 53361479
N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 53361481
N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 53361482
N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 53375782
6-[[2-[1-[(4-Chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 10181259
N-benzyl-1-[4-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[3,2-b]pyridine-5-carboxamide
CID 46221890
4-chloro-N-(3-(2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46883711
N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide
CID 56931001
N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 70686146
N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3,4-dichlorobenzamide
CID 70692460

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide (CID 53361480) is N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(-n2ccc3c(NC(=O)c4ccccc4)nccc32)cc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide?
The InChIKey is FDTVZGCGBOKBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClF3N4O2/c29-23-11-6-18(16-22(23)28(30,31)32)27(38)34-19-7-9-20(10-8-19)36-15-13-21-24(36)12-14-33-25(21)35-26(37)17-4-2-1-3-5-17/h1-16H,(H,34,38)(H,33,35,37).
What are the key properties of N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide?
N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide has a molecular weight of 534.93 g/mol, XLogP of 7.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 53361480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).