(1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide

C16H17Cl2NO — CID 100824173

IUPAC(1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2[C@H]3CC[C@H]1[C@H]2C3
InChIInChI=1S/C16H17Cl2NO/c17-9-2-4-15(14(18)6-9)19-16(20)13-7-11-8-1-3-10(13)12(11)5-8/h2,4,6,8,10-13H,1,3,5,7H2,(H,19,20)/t8-,10-,11-,12+,13+/m0/s1
InChIKeyXROMWFGFPUQVOV-KHAFSYESSA-N
MW310.22 g/mol
LogP4.61
Rot. Bonds2

About (1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide

(1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide (PubChem CID 100824173) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is (1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide.

Molecular Properties

Compound Name(1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide
PubChem CID100824173
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name(1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2[C@H]3CC[C@H]1[C@H]2C3
InChIInChI=1S/C16H17Cl2NO/c17-9-2-4-15(14(18)6-9)19-16(20)13-7-11-8-1-3-10(13)12(11)5-8/h2,4,6,8,10-13H,1,3,5,7H2,(H,19,20)/t8-,10-,11-,12+,13+/m0/s1
InChIKeyXROMWFGFPUQVOV-KHAFSYESSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,4S,5R,7S,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide
CID 100824122
(1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide
CID 100824124
(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98230227
2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381
2-N-(2,4-dichlorophenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130797
(1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 124776024
N-(2,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134297
4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 54928746
N-(2,4-dichlorophenyl)-4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxamide
CID 98278602
1-N-butan-2-yl-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131774
N-(2,4-dichlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43105847
1-N-(2-cyanophenyl)-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144163

Frequently Asked Questions

What is the IUPAC name of (1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide?
The IUPAC name of (1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide (CID 100824173) is (1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide.
What is the SMILES notation for (1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide?
The canonical SMILES for (1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2[C@H]3CC[C@H]1[C@H]2C3.
What is the InChIKey of (1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide?
The InChIKey is XROMWFGFPUQVOV-KHAFSYESSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c17-9-2-4-15(14(18)6-9)19-16(20)13-7-11-8-1-3-10(13)12(11)5-8/h2,4,6,8,10-13H,1,3,5,7H2,(H,19,20)/t8-,10-,11-,12+,13+/m0/s1.
What are the key properties of (1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide?
(1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide has a molecular weight of 310.22 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide is sourced from PubChem (CID 100824173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).