3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide

C16H21ClN2O2 — CID 119720221

IUPAC3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O2/c17-12-5-3-9(4-6-12)13(20)8-19-16(21)14-10-1-2-11(7-10)15(14)18/h3-6,10-11,13-15,20H,1-2,7-8,18H2,(H,19,21)
InChIKeyLHNHBQIDRXMEEO-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.86
Rot. Bonds4

About 3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119720221) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119720221
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O2/c17-12-5-3-9(4-6-12)13(20)8-19-16(21)14-10-1-2-11(7-10)15(14)18/h3-6,10-11,13-15,20H,1-2,7-8,18H2,(H,19,21)
InChIKeyLHNHBQIDRXMEEO-UHFFFAOYSA-N
XLogP1.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119792586
3-amino-N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119800687
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide
CID 110885456
3-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119737448
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119807219
3-amino-N-[2-(3-chlorophenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119807110
3-amino-N-[4-(4-chloroanilino)-4-oxobutyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119738699
3-amino-N-[2-(3,5-dichlorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119752652
N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide
CID 111477066
3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119720221) is 3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LHNHBQIDRXMEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-12-5-3-9(4-6-12)13(20)8-19-16(21)14-10-1-2-11(7-10)15(14)18/h3-6,10-11,13-15,20H,1-2,7-8,18H2,(H,19,21).
What are the key properties of 3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119720221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).