4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide

C14H17Cl2N3O — CID 82833146

IUPAC4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
SMILESNc1c(Cl)cc(C(=O)NC2CCN(C3CC3)C2)cc1Cl
InChIInChI=1S/C14H17Cl2N3O/c15-11-5-8(6-12(16)13(11)17)14(20)18-9-3-4-19(7-9)10-1-2-10/h5-6,9-10H,1-4,7,17H2,(H,18,20)
InChIKeyUFMFMXAPJMBLFI-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.54
Rot. Bonds3

About 4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide

4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide (PubChem CID 82833146) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
PubChem CID82833146
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
SMILESNc1c(Cl)cc(C(=O)NC2CCN(C3CC3)C2)cc1Cl
InChIInChI=1S/C14H17Cl2N3O/c15-11-5-8(6-12(16)13(11)17)14(20)18-9-3-4-19(7-9)10-1-2-10/h5-6,9-10H,1-4,7,17H2,(H,18,20)
InChIKeyUFMFMXAPJMBLFI-UHFFFAOYSA-N
XLogP2.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 103841788
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 62161092
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 82811425
3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 112575801
5-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 81317228
(4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 82833278
2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide
CID 12898848
2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine
CID 106890228
3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 47839090
4-amino-3,5-dichloro-N-(thian-3-yl)benzamide
CID 115869160

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide (CID 82833146) is 4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide is Nc1c(Cl)cc(C(=O)NC2CCN(C3CC3)C2)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
The InChIKey is UFMFMXAPJMBLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c15-11-5-8(6-12(16)13(11)17)14(20)18-9-3-4-19(7-9)10-1-2-10/h5-6,9-10H,1-4,7,17H2,(H,18,20).
What are the key properties of 4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide has a molecular weight of 314.22 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 82833146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).