N-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide

C22H22Cl2N2O2 — CID 7176958

IUPACN-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide
SMILESO=C(NC(=O)N(Cc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2)c1c(Cl)cccc1Cl
InChIInChI=1S/C22H22Cl2N2O2/c23-17-7-4-8-18(24)20(17)21(27)25-22(28)26(13-14-5-2-1-3-6-14)19-12-15-9-10-16(19)11-15/h1-8,15-16,19H,9-13H2,(H,25,27,28)/t15-,16-,19+/m0/s1
InChIKeyHAZNMFGNLXWTQJ-TXPKVOOTSA-N
MW417.34 g/mol
LogP5.53
Rot. Bonds4

About N-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide

N-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide (PubChem CID 7176958) has the molecular formula C22H22Cl2N2O2 and a molecular weight of 417.34 g/mol. Its IUPAC name is N-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide
PubChem CID7176958
Molecular FormulaC22H22Cl2N2O2
Molecular Weight417.34 g/mol
Exact Mass416.11
IUPAC NameN-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide
SMILESO=C(NC(=O)N(Cc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2)c1c(Cl)cccc1Cl
InChIInChI=1S/C22H22Cl2N2O2/c23-17-7-4-8-18(24)20(17)21(27)25-22(28)26(13-14-5-2-1-3-6-14)19-12-15-9-10-16(19)11-15/h1-8,15-16,19H,9-13H2,(H,25,27,28)/t15-,16-,19+/m0/s1
InChIKeyHAZNMFGNLXWTQJ-TXPKVOOTSA-N
XLogP5.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.34
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide with MolForge

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Related Compounds

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2,6-dichlorobenzamide
CID 7241697
N-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide
CID 139199338
N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
CID 75853875
1-benzyl-1-cyclopropyl-3-ethylurea
CID 127578302
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 115784962
N-benzyl-N-(2-chloroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 63390711
N-(2-bicyclo[2.2.1]heptanyl)-N-(thiophen-2-ylmethyl)carbamate
CID 57371803
1-benzyl-3-[1-(3-chloro-2-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)urea
CID 70653571
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide
CID 100631226
2-[benzyl(methylsulfonyl)amino]-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1202343
2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6732970
S-[(4-chlorophenyl)methyl] N-(2-bicyclo[2.2.1]heptanyl)-N-prop-2-ynylcarbamothioate
CID 88837175

Frequently Asked Questions

What is the IUPAC name of N-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide?
The IUPAC name of N-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide (CID 7176958) is N-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide is O=C(NC(=O)N(Cc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide?
The InChIKey is HAZNMFGNLXWTQJ-TXPKVOOTSA-N. The full InChI is InChI=1S/C22H22Cl2N2O2/c23-17-7-4-8-18(24)20(17)21(27)25-22(28)26(13-14-5-2-1-3-6-14)19-12-15-9-10-16(19)11-15/h1-8,15-16,19H,9-13H2,(H,25,27,28)/t15-,16-,19+/m0/s1.
What are the key properties of N-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide?
N-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide has a molecular weight of 417.34 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide is sourced from PubChem (CID 7176958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).