2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide

C14H18ClN3O2 — CID 97220318

IUPAC2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide
SMILESCC(C)N1CC[C@@H](Nc2ccc(Cl)c(C(N)=O)c2)C1=O
InChIInChI=1S/C14H18ClN3O2/c1-8(2)18-6-5-12(14(18)20)17-9-3-4-11(15)10(7-9)13(16)19/h3-4,7-8,12,17H,5-6H2,1-2H3,(H2,16,19)/t12-/m1/s1
InChIKeyDQAHVANHPIEQFU-GFCCVEGCSA-N
MW295.77 g/mol
LogP1.86
Rot. Bonds4

About 2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide

2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide (PubChem CID 97220318) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide
PubChem CID97220318
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide
SMILESCC(C)N1CC[C@@H](Nc2ccc(Cl)c(C(N)=O)c2)C1=O
InChIInChI=1S/C14H18ClN3O2/c1-8(2)18-6-5-12(14(18)20)17-9-3-4-11(15)10(7-9)13(16)19/h3-4,7-8,12,17H,5-6H2,1-2H3,(H2,16,19)/t12-/m1/s1
InChIKeyDQAHVANHPIEQFU-GFCCVEGCSA-N
XLogP1.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
CID 114165297
5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide
CID 56787560
4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
CID 43784539
2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
CID 43713517
2-chloro-5-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43713661
2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide
CID 64751160
(3R)-3-(2,6-difluoroanilino)-1-propan-2-ylpyrrolidin-2-one
CID 124511774
1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 86795644
5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide
CID 82686883
(3S)-3-[3-chloro-4-(piperidine-1-carbonyl)anilino]-1-methylpyrrolidin-2-one
CID 96568037
4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 119132601
(3S)-3-[3-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]anilino]-1-propan-2-ylpyrrolidin-2-one
CID 100908129

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide?
The IUPAC name of 2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide (CID 97220318) is 2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide.
What is the SMILES notation for 2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide?
The canonical SMILES for 2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide is CC(C)N1CC[C@@H](Nc2ccc(Cl)c(C(N)=O)c2)C1=O.
What is the InChIKey of 2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide?
The InChIKey is DQAHVANHPIEQFU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-8(2)18-6-5-12(14(18)20)17-9-3-4-11(15)10(7-9)13(16)19/h3-4,7-8,12,17H,5-6H2,1-2H3,(H2,16,19)/t12-/m1/s1.
What are the key properties of 2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide?
2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide has a molecular weight of 295.77 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide is sourced from PubChem (CID 97220318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).