N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H16ClNO — CID 4069270

IUPACN-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CC2CCC1C2
InChIInChI=1S/C14H16ClNO/c15-12-3-1-2-4-13(12)16-14(17)11-8-9-5-6-10(11)7-9/h1-4,9-11H,5-8H2,(H,16,17)
InChIKeyNGRGFMSDCZADET-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.71
Rot. Bonds2

About N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 4069270) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID4069270
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC NameN-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CC2CCC1C2
InChIInChI=1S/C14H16ClNO/c15-12-3-1-2-4-13(12)16-14(17)11-8-9-5-6-10(11)7-9/h1-4,9-11H,5-8H2,(H,16,17)
InChIKeyNGRGFMSDCZADET-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6952490
(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878067
(1R,2R,4R)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98296679
(1R,2S,4S)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40605958
N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2853331
(1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7448839
N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113274446
N-[2-(3-hydroxyprop-1-ynyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60802196
N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64793995
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
ethyl 2-[[(1R,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 6952567
trans-(1S,2S)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 786077

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 4069270) is N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccccc1Cl)C1CC2CCC1C2.
What is the InChIKey of N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NGRGFMSDCZADET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c15-12-3-1-2-4-13(12)16-14(17)11-8-9-5-6-10(11)7-9/h1-4,9-11H,5-8H2,(H,16,17).
What are the key properties of N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 249.74 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 4069270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).