N-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide

C17H23ClN2O — CID 37366114

IUPACN-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C17H23ClN2O/c1-20(16(21)15-5-14(18)9-19-15)10-17-6-11-2-12(7-17)4-13(3-11)8-17/h5,9,11-13,19H,2-4,6-8,10H2,1H3
InChIKeyIZKMUDHECOQDGV-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.96
Rot. Bonds3

About N-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide

N-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 37366114) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID37366114
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C17H23ClN2O/c1-20(16(21)15-5-14(18)9-19-15)10-17-6-11-2-12(7-17)4-13(3-11)8-17/h5,9,11-13,19H,2-4,6-8,10H2,1H3
InChIKeyIZKMUDHECOQDGV-UHFFFAOYSA-N
XLogP3.96
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[2-(1-adamantyl)acetyl]-4-chloro-1H-pyrrole-2-carbohydrazide
CID 35766957
4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 79721407
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119652529
N-(1-adamantylmethyl)-N-methylbutanamide
CID 60682666
N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide
CID 116676401
N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
CID 37364660
N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112800397
N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide
CID 116651837
N-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide
CID 55649596
4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 43576939
N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide
CID 60711839
2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62819682

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide (CID 37366114) is N-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of N-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is IZKMUDHECOQDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-20(16(21)15-5-14(18)9-19-15)10-17-6-11-2-12(7-17)4-13(3-11)8-17/h5,9,11-13,19H,2-4,6-8,10H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide?
N-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 306.84 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 37366114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).