N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide

C19H22Cl2N2O — CID 141077569

IUPACN-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide
SMILESO=C(C1=CCN2CCCC1C2)N(Cc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C19H22Cl2N2O/c20-17-5-1-3-14(18(17)21)12-23(15-6-7-15)19(24)16-8-10-22-9-2-4-13(16)11-22/h1,3,5,8,13,15H,2,4,6-7,9-12H2
InChIKeyHMLWDGOHDHBZJC-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.14
Rot. Bonds4

About N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide

N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide (PubChem CID 141077569) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide
PubChem CID141077569
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC NameN-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide
SMILESO=C(C1=CCN2CCCC1C2)N(Cc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C19H22Cl2N2O/c20-17-5-1-3-14(18(17)21)12-23(15-6-7-15)19(24)16-8-10-22-9-2-4-13(16)11-22/h1,3,5,8,13,15H,2,4,6-7,9-12H2
InChIKeyHMLWDGOHDHBZJC-UHFFFAOYSA-N
XLogP4.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide with MolForge

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide
CID 141077568
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]propanamide
CID 69301683
N-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
CID 141077566
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide
CID 154454654
N-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide
CID 141077616
N-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]-N-cyclopropyl-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
CID 159647260
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11587945
N-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide
CID 141077611
(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 131895525
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
(6S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-6-(hydroxymethyl)-4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 56849326
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide (CID 141077569) is N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide is O=C(C1=CCN2CCCC1C2)N(Cc1cccc(Cl)c1Cl)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide?
The InChIKey is HMLWDGOHDHBZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c20-17-5-1-3-14(18(17)21)12-23(15-6-7-15)19(24)16-8-10-22-9-2-4-13(16)11-22/h1,3,5,8,13,15H,2,4,6-7,9-12H2.
What are the key properties of N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide?
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide has a molecular weight of 365.30 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide is sourced from PubChem (CID 141077569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).