3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide

C19H19ClN4O3 — CID 73278654

IUPAC3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide
SMILESCC1Oc2ccc(NC(=O)C3CNNC3c3ccc(Cl)cc3)cc2NC1=O
InChIInChI=1S/C19H19ClN4O3/c1-10-18(25)23-15-8-13(6-7-16(15)27-10)22-19(26)14-9-21-24-17(14)11-2-4-12(20)5-3-11/h2-8,10,14,17,21,24H,9H2,1H3,(H,22,26)(H,23,25)
InChIKeyCHWIXLUTIKZEFL-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.46
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide

3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide (PubChem CID 73278654) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide
PubChem CID73278654
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide
SMILESCC1Oc2ccc(NC(=O)C3CNNC3c3ccc(Cl)cc3)cc2NC1=O
InChIInChI=1S/C19H19ClN4O3/c1-10-18(25)23-15-8-13(6-7-16(15)27-10)22-19(26)14-9-21-24-17(14)11-2-4-12(20)5-3-11/h2-8,10,14,17,21,24H,9H2,1H3,(H,22,26)(H,23,25)
InChIKeyCHWIXLUTIKZEFL-UHFFFAOYSA-N
XLogP2.46
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide
CID 73277699
N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide
CID 75656770
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopentanecarboxamide
CID 9145093
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
(2S)-2-(4-chlorophenyl)-3-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide
CID 9145300
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9147824
4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide
CID 51958466
5-(4-bromophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-3-carboxamide
CID 75206732
N-(4-chlorophenyl)-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonyl]piperidine-4-carboxamide
CID 95068562
N-(4-chlorophenyl)-1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53068480
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride
CID 119273976

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide (CID 73278654) is 3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide is CC1Oc2ccc(NC(=O)C3CNNC3c3ccc(Cl)cc3)cc2NC1=O.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide?
The InChIKey is CHWIXLUTIKZEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-10-18(25)23-15-8-13(6-7-16(15)27-10)22-19(26)14-9-21-24-17(14)11-2-4-12(20)5-3-11/h2-8,10,14,17,21,24H,9H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide?
3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 2.46, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 73278654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).