4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride

C15H22Cl3N3O — CID 119854816

IUPAC4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)NCC2CCN(C3CC3)C2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O.2ClH/c16-14-7-11(17)1-4-13(14)15(20)18-8-10-5-6-19(9-10)12-2-3-12;;/h1,4,7,10,12H,2-3,5-6,8-9,17H2,(H,18,20);2*1H
InChIKeyVSKVSOBCDOAXGA-UHFFFAOYSA-N
MW366.72 g/mol
LogP2.98
Rot. Bonds4

About 4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride

4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride (PubChem CID 119854816) has the molecular formula C15H22Cl3N3O and a molecular weight of 366.72 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride
PubChem CID119854816
Molecular FormulaC15H22Cl3N3O
Molecular Weight366.72 g/mol
Exact Mass365.08
IUPAC Name4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)NCC2CCN(C3CC3)C2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O.2ClH/c16-14-7-11(17)1-4-13(14)15(20)18-8-10-5-6-19(9-10)12-2-3-12;;/h1,4,7,10,12H,2-3,5-6,8-9,17H2,(H,18,20);2*1H
InChIKeyVSKVSOBCDOAXGA-UHFFFAOYSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.72
LogP ≤ 52.98
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

2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 99832914
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118704
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 61118366
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 95303166
5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61110999
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodobenzamide
CID 103994708
3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide
CID 79758259
4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide
CID 165390196
6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61052814

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride?
The IUPAC name of 4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride (CID 119854816) is 4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride is Cl.Cl.Nc1ccc(C(=O)NCC2CCN(C3CC3)C2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride?
The InChIKey is VSKVSOBCDOAXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O.2ClH/c16-14-7-11(17)1-4-13(14)15(20)18-8-10-5-6-19(9-10)12-2-3-12;;/h1,4,7,10,12H,2-3,5-6,8-9,17H2,(H,18,20);2*1H.
What are the key properties of 4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride?
4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride has a molecular weight of 366.72 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119854816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).