N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide

C16H21ClN2O — CID 61363949

IUPACN-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(Cc1cc(N)ccc1Cl)C(=O)C1CC2CCC1C2
InChIInChI=1S/C16H21ClN2O/c1-19(9-12-8-13(18)4-5-15(12)17)16(20)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14H,2-3,6-7,9,18H2,1H3
InChIKeyUYOZDBDAFHKKLJ-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.32
Rot. Bonds3

About N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide

N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 61363949) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID61363949
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(Cc1cc(N)ccc1Cl)C(=O)C1CC2CCC1C2
InChIInChI=1S/C16H21ClN2O/c1-19(9-12-8-13(18)4-5-15(12)17)16(20)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14H,2-3,6-7,9,18H2,1H3
InChIKeyUYOZDBDAFHKKLJ-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide
CID 63010284
N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457040
(1S,2R,4S)-N-methyl-N-[(2-nitrophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 129376999
4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
CID 43264518
N-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107465594
N-[(3-carbamothioylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 62967037
N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 61365705
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 106826067
N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide
CID 63229707
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 63929945
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide (CID 61363949) is N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide is CN(Cc1cc(N)ccc1Cl)C(=O)C1CC2CCC1C2.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UYOZDBDAFHKKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-19(9-12-8-13(18)4-5-15(12)17)16(20)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14H,2-3,6-7,9,18H2,1H3.
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 292.81 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 61363949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).