2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide

C16H20N2O2 — CID 98435271

IUPAC2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H20N2O2/c17-16(20)13-3-1-2-4-14(13)18-15(19)9-12-8-10-5-6-11(12)7-10/h1-4,10-12H,5-9H2,(H2,17,20)(H,18,19)/t10-,11-,12+/m0/s1
InChIKeySHTFVMIEMVYFCF-SDDRHHMPSA-N
MW272.35 g/mol
LogP2.55
Rot. Bonds4

About 2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide

2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide (PubChem CID 98435271) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide
PubChem CID98435271
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H20N2O2/c17-16(20)13-3-1-2-4-14(13)18-15(19)9-12-8-10-5-6-11(12)7-10/h1-4,10-12H,5-9H2,(H2,17,20)(H,18,19)/t10-,11-,12+/m0/s1
InChIKeySHTFVMIEMVYFCF-SDDRHHMPSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide
CID 18556276
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide
CID 7923830
2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98298900
N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2853331
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 98773906
5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid
CID 63115747
[2-(2-benzoylanilino)-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18556497
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013855
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 18532249
N-(1,3-benzodioxol-5-yl)-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzamide
CID 4792947
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-chlorobenzoic acid
CID 43078867

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide (CID 98435271) is 2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of 2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide?
The InChIKey is SHTFVMIEMVYFCF-SDDRHHMPSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-16(20)13-3-1-2-4-14(13)18-15(19)9-12-8-10-5-6-11(12)7-10/h1-4,10-12H,5-9H2,(H2,17,20)(H,18,19)/t10-,11-,12+/m0/s1.
What are the key properties of 2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide?
2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide is sourced from PubChem (CID 98435271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).