N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide

C21H23NO — CID 75853875

IUPACN-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(C1CC2CCC1C2)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO/c23-21(20-14-17-11-12-18(20)13-17)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1-10,17-18,20H,11-15H2
InChIKeyCVDRVNRWPJVXJL-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.66
Rot. Bonds4

About N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide

N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 75853875) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID75853875
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC NameN-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(C1CC2CCC1C2)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO/c23-21(20-14-17-11-12-18(20)13-17)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1-10,17-18,20H,11-15H2
InChIKeyCVDRVNRWPJVXJL-UHFFFAOYSA-N
XLogP4.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-(2-chloroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 63390711
N-(3-amino-3-sulfanylidenepropyl)-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
CID 61365927
2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid
CID 60831127
(1R,6S)-6-[benzyl(phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6969329
1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133594
N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide
CID 63229707
1-N-benzyl-1-N-phenyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137430
2-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976864
1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141876
1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142112
N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 61365705
1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide (CID 75853875) is N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide is O=C(C1CC2CCC1C2)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CVDRVNRWPJVXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c23-21(20-14-17-11-12-18(20)13-17)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1-10,17-18,20H,11-15H2.
What are the key properties of N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide?
N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 75853875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).