2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide

C20H22ClN3O2 — CID 122558217

IUPAC2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(-c3ccc(Cl)c(C(N)=O)c3)cc2)C1
InChIInChI=1S/C20H22ClN3O2/c1-23-10-9-16(12-23)24(2)20(26)14-5-3-13(4-6-14)15-7-8-18(21)17(11-15)19(22)25/h3-8,11,16H,9-10,12H2,1-2H3,(H2,22,25)
InChIKeyALHWFERVYCBBKI-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.88
Rot. Bonds4

About 2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide

2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide (PubChem CID 122558217) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide
PubChem CID122558217
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(-c3ccc(Cl)c(C(N)=O)c3)cc2)C1
InChIInChI=1S/C20H22ClN3O2/c1-23-10-9-16(12-23)24(2)20(26)14-5-3-13(4-6-14)15-7-8-18(21)17(11-15)19(22)25/h3-8,11,16H,9-10,12H2,1-2H3,(H2,22,25)
InChIKeyALHWFERVYCBBKI-UHFFFAOYSA-N
XLogP2.88
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide (CID 122558217) is 2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide is CN1CCC(N(C)C(=O)c2ccc(-c3ccc(Cl)c(C(N)=O)c3)cc2)C1.
What is the InChIKey of 2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide?
The InChIKey is ALHWFERVYCBBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-23-10-9-16(12-23)24(2)20(26)14-5-3-13(4-6-14)15-7-8-18(21)17(11-15)19(22)25/h3-8,11,16H,9-10,12H2,1-2H3,(H2,22,25).
What are the key properties of 2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide?
2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide has a molecular weight of 371.87 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 122558217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).