(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide

C18H21ClN2O — CID 810234

IUPAC(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide
SMILESC[C@@H](Cl)C(=O)N(Cc1cccn1Cc1ccccc1)C1CC1
InChIInChI=1S/C18H21ClN2O/c1-14(19)18(22)21(16-9-10-16)13-17-8-5-11-20(17)12-15-6-3-2-4-7-15/h2-8,11,14,16H,9-10,12-13H2,1H3/t14-/m1/s1
InChIKeyDOZGDWDKUDFKJB-CQSZACIVSA-N
MW316.83 g/mol
LogP3.65
Rot. Bonds6

About (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide

(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide (PubChem CID 810234) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide
PubChem CID810234
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide
SMILESC[C@@H](Cl)C(=O)N(Cc1cccn1Cc1ccccc1)C1CC1
InChIInChI=1S/C18H21ClN2O/c1-14(19)18(22)21(16-9-10-16)13-17-8-5-11-20(17)12-15-6-3-2-4-7-15/h2-8,11,14,16H,9-10,12-13H2,1H3/t14-/m1/s1
InChIKeyDOZGDWDKUDFKJB-CQSZACIVSA-N
XLogP3.65
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylpropanamide
CID 3980589
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide
CID 3534668
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide
CID 810218
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 3440075
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide
CID 4024183
2,2-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide
CID 3965068
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 42776764
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-cyclohexyl-3,3-dimethylbutanamide
CID 3993753
N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 810278
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-phenylbutanamide
CID 3975423
3-(1-adamantyl)-1-[(1-benzylpyrrol-2-yl)methyl]-1-cyclopropylurea
CID 5225400
N-benzyl-2-chloro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]propanamide
CID 3322916

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide?
The IUPAC name of (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide (CID 810234) is (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide.
What is the SMILES notation for (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide?
The canonical SMILES for (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide is C[C@@H](Cl)C(=O)N(Cc1cccn1Cc1ccccc1)C1CC1.
What is the InChIKey of (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide?
The InChIKey is DOZGDWDKUDFKJB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-14(19)18(22)21(16-9-10-16)13-17-8-5-11-20(17)12-15-6-3-2-4-7-15/h2-8,11,14,16H,9-10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide?
(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide has a molecular weight of 316.83 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide is sourced from PubChem (CID 810234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).