3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide

C15H16Cl2N2O2 — CID 110866994

IUPAC3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C2CC2)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O2/c16-12-4-3-10(7-13(12)17)14(20)18-11-5-6-19(8-11)15(21)9-1-2-9/h3-4,7,9,11H,1-2,5-6,8H2,(H,18,20)
InChIKeyPAVUJQNLZAMBIH-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.73
Rot. Bonds3

About 3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide

3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 110866994) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
PubChem CID110866994
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C2CC2)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O2/c16-12-4-3-10(7-13(12)17)14(20)18-11-5-6-19(8-11)15(21)9-1-2-9/h3-4,7,9,11H,1-2,5-6,8H2,(H,18,20)
InChIKeyPAVUJQNLZAMBIH-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 95051706
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 119046202
3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 108559223
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide
CID 154805669
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119163910
(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636
3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874683
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide (CID 110866994) is 3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide is O=C(NC1CCN(C(=O)C2CC2)C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is PAVUJQNLZAMBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c16-12-4-3-10(7-13(12)17)14(20)18-11-5-6-19(8-11)15(21)9-1-2-9/h3-4,7,9,11H,1-2,5-6,8H2,(H,18,20).
What are the key properties of 3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide?
3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 327.21 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 110866994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).