10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide

C19H23Cl2NO — CID 2928549

IUPAC10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2C3CCC4C(CCC32)C4(Cl)Cl)c1
InChIInChI=1S/C19H23Cl2NO/c1-10-7-11(2)9-12(8-10)22-18(23)17-13-3-5-15-16(19(15,20)21)6-4-14(13)17/h7-9,13-17H,3-6H2,1-2H3,(H,22,23)
InChIKeyNXNYJRGLJXXUIN-UHFFFAOYSA-N
MW352.31 g/mol
LogP5.10
Rot. Bonds2

About 10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide

10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide (PubChem CID 2928549) has the molecular formula C19H23Cl2NO and a molecular weight of 352.31 g/mol. Its IUPAC name is 10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide.

Molecular Properties

Compound Name10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
PubChem CID2928549
Molecular FormulaC19H23Cl2NO
Molecular Weight352.31 g/mol
Exact Mass351.12
IUPAC Name10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2C3CCC4C(CCC32)C4(Cl)Cl)c1
InChIInChI=1S/C19H23Cl2NO/c1-10-7-11(2)9-12(8-10)22-18(23)17-13-3-5-15-16(19(15,20)21)6-4-14(13)17/h7-9,13-17H,3-6H2,1-2H3,(H,22,23)
InChIKeyNXNYJRGLJXXUIN-UHFFFAOYSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.31
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
CID 98229321
(1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
CID 6978027
(1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 7961012
(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98189669
(1R,4S,6R,9R)-10,10-dichloro-N-(1,3-thiazol-2-yl)tricyclo[7.1.0.04,6]decane-5-carboxamide
CID 98506991
10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
CID 2894969
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 107578019
(4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5285511
N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013635
(1R,2R,3R,4R)-3-[(3,5-dimethylphenyl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 99721609
(1R,2R,3R,4S)-3-[(3,5-dimethylphenyl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 874718
(1S,2S,3S,4R)-3-[(3,5-dimethylphenyl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylate
CID 11906999

Frequently Asked Questions

What is the IUPAC name of 10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
The IUPAC name of 10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide (CID 2928549) is 10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide.
What is the SMILES notation for 10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
The canonical SMILES for 10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide is Cc1cc(C)cc(NC(=O)C2C3CCC4C(CCC32)C4(Cl)Cl)c1.
What is the InChIKey of 10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
The InChIKey is NXNYJRGLJXXUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO/c1-10-7-11(2)9-12(8-10)22-18(23)17-13-3-5-15-16(19(15,20)21)6-4-14(13)17/h7-9,13-17H,3-6H2,1-2H3,(H,22,23).
What are the key properties of 10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide has a molecular weight of 352.31 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide is sourced from PubChem (CID 2928549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).