N-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide

C21H18ClN3O2 — CID 44561917

IUPACN-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)cc1C
InChIInChI=1S/C21H18ClN3O2/c1-13-5-6-15(10-14(13)2)20(26)24-16-7-8-19(22)18(11-16)21(27)25-17-4-3-9-23-12-17/h3-12H,1-2H3,(H,24,26)(H,25,27)
InChIKeyCNLJKLODZVXKSB-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.86
Rot. Bonds4

About N-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide

N-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide (PubChem CID 44561917) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide
PubChem CID44561917
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)cc1C
InChIInChI=1S/C21H18ClN3O2/c1-13-5-6-15(10-14(13)2)20(26)24-16-7-8-19(22)18(11-16)21(27)25-17-4-3-9-23-12-17/h3-12H,1-2H3,(H,24,26)(H,25,27)
InChIKeyCNLJKLODZVXKSB-UHFFFAOYSA-N
XLogP4.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide (CID 44561917) is N-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)cc1C.
What is the InChIKey of N-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide?
The InChIKey is CNLJKLODZVXKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13-5-6-15(10-14(13)2)20(26)24-16-7-8-19(22)18(11-16)21(27)25-17-4-3-9-23-12-17/h3-12H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide?
N-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide has a molecular weight of 379.85 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 44561917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).