(1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide

C11H14F2N2O — CID 164639298

IUPAC(1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)[C@@]1(C)CC1(F)F
InChIInChI=1S/C11H14F2N2O/c1-10(7-11(10,12)13)9(16)15(2)6-8-4-3-5-14-8/h3-5,14H,6-7H2,1-2H3/t10-/m1/s1
InChIKeyYGFMEFGSPFLSIT-SNVBAGLBSA-N
MW228.24 g/mol
LogP2.02
Rot. Bonds3

About (1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide

(1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 164639298) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is (1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID164639298
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name(1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)[C@@]1(C)CC1(F)F
InChIInChI=1S/C11H14F2N2O/c1-10(7-11(10,12)13)9(16)15(2)6-8-4-3-5-14-8/h3-5,14H,6-7H2,1-2H3/t10-/m1/s1
InChIKeyYGFMEFGSPFLSIT-SNVBAGLBSA-N
XLogP2.02
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide
CID 115185388
3-[methyl(1H-pyrrol-2-ylmethyl)carbamoyl]oxetane-3-carboxylic acid
CID 115185011
1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
CID 115183346
3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea
CID 124509076
2,2-dimethyl-4-[methyl(1H-pyrrol-2-ylmethyl)amino]-4-oxobutanoic acid
CID 115165275
N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide
CID 110690806
4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide
CID 115151023
methyl 2-[methyl(1H-pyrrol-2-ylmethyl)carbamoyl]butanoate
CID 115187934
2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide
CID 115116006
N,4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 63121399
3-[(1-hydroxycyclobutyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine
CID 119155989
2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 78784523

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide (CID 164639298) is (1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide is CN(Cc1ccc[nH]1)C(=O)[C@@]1(C)CC1(F)F.
What is the InChIKey of (1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is YGFMEFGSPFLSIT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-10(7-11(10,12)13)9(16)15(2)6-8-4-3-5-14-8/h3-5,14H,6-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide?
(1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 228.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 164639298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).