N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide

C24H27ClN2O2 — CID 2355286

IUPACN-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C24H27ClN2O2/c1-15(20-12-16-7-8-18(20)11-16)26-14-23(28)27-22-10-9-19(25)13-21(22)24(29)17-5-3-2-4-6-17/h2-6,9-10,13,15-16,18,20,26H,7-8,11-12,14H2,1H3,(H,27,28)/t15-,16-,18+,20-/m1/s1
InChIKeyVLLNCICXOQVWNR-ZTRFORPCSA-N
MW410.95 g/mol
LogP4.92
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide

N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide (PubChem CID 2355286) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide
PubChem CID2355286
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C24H27ClN2O2/c1-15(20-12-16-7-8-18(20)11-16)26-14-23(28)27-22-10-9-19(25)13-21(22)24(29)17-5-3-2-4-6-17/h2-6,9-10,13,15-16,18,20,26H,7-8,11-12,14H2,1H3,(H,27,28)/t15-,16-,18+,20-/m1/s1
InChIKeyVLLNCICXOQVWNR-ZTRFORPCSA-N
XLogP4.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 4852472
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide
CID 43179815
2-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 98606003
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide
CID 43082122
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-4-chlorobenzoic acid
CID 63512018
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
N-(2-benzoyl-4-chlorophenyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56569861
N-(2-benzoyl-4-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide
CID 2924606
N-(2-benzoyl-4-chlorophenyl)-3-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanamide
CID 98124354
methyl 1-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 7986996
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-[4-(diethylamino)phenyl]acetamide
CID 4839986

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide (CID 2355286) is N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide is C[C@@H](NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide?
The InChIKey is VLLNCICXOQVWNR-ZTRFORPCSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c1-15(20-12-16-7-8-18(20)11-16)26-14-23(28)27-22-10-9-19(25)13-21(22)24(29)17-5-3-2-4-6-17/h2-6,9-10,13,15-16,18,20,26H,7-8,11-12,14H2,1H3,(H,27,28)/t15-,16-,18+,20-/m1/s1.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide has a molecular weight of 410.95 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide is sourced from PubChem (CID 2355286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).