(1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C15H18ClNO — CID 51027350

IUPAC(1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1Cl
InChIInChI=1S/C15H18ClNO/c1-9-2-5-12(8-14(9)16)17-15(18)13-7-10-3-4-11(13)6-10/h2,5,8,10-11,13H,3-4,6-7H2,1H3,(H,17,18)/t10-,11-,13-/m1/s1
InChIKeyIETYQASZVIEFLT-NQBHXWOUSA-N
MW263.77 g/mol
LogP4.02
Rot. Bonds2

About (1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 51027350) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is (1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID51027350
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name(1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1Cl
InChIInChI=1S/C15H18ClNO/c1-9-2-5-12(8-14(9)16)17-15(18)13-7-10-3-4-11(13)6-10/h2,5,8,10-11,13H,3-4,6-7H2,1H3,(H,17,18)/t10-,11-,13-/m1/s1
InChIKeyIETYQASZVIEFLT-NQBHXWOUSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51121271
(1S,2S,4S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 100594159
(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11905183
(1S,2S,3R,4R)-3-[(3-chloro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 110190846
2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856466
(1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 176763932
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939210
(1S,2R,4S)-N-(1,3-benzodioxol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7047583
(1S,2S,4S)-N-(1,3-benzodioxol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7079799
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3111211

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 51027350) is (1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1Cl.
What is the InChIKey of (1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IETYQASZVIEFLT-NQBHXWOUSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-9-2-5-12(8-14(9)16)17-15(18)13-7-10-3-4-11(13)6-10/h2,5,8,10-11,13H,3-4,6-7H2,1H3,(H,17,18)/t10-,11-,13-/m1/s1.
What are the key properties of (1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 263.77 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 51027350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).