2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide

C19H24Cl2N2O — CID 5029187

IUPAC2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(Cc1cccn1Cc1ccccc1Cl)C(=O)C(C)Cl
InChIInChI=1S/C19H24Cl2N2O/c1-14(2)11-23(19(24)15(3)20)13-17-8-6-10-22(17)12-16-7-4-5-9-18(16)21/h4-10,14-15H,11-13H2,1-3H3
InChIKeyKKFPXJZGNXWAPQ-UHFFFAOYSA-N
MW367.32 g/mol
LogP4.80
Rot. Bonds7

About 2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide

2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide (PubChem CID 5029187) has the molecular formula C19H24Cl2N2O and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide
PubChem CID5029187
Molecular FormulaC19H24Cl2N2O
Molecular Weight367.32 g/mol
Exact Mass366.13
IUPAC Name2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(Cc1cccn1Cc1ccccc1Cl)C(=O)C(C)Cl
InChIInChI=1S/C19H24Cl2N2O/c1-14(2)11-23(19(24)15(3)20)13-17-8-6-10-22(17)12-16-7-4-5-9-18(16)21/h4-10,14-15H,11-13H2,1-3H3
InChIKeyKKFPXJZGNXWAPQ-UHFFFAOYSA-N
XLogP4.80
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 54.80
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

2,2-dichloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
CID 4020577
(2S)-N-[(2R)-butan-2-yl]-2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]propanamide
CID 7330620
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42764260
2-[acetyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
CID 4691678
2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylpropanamide
CID 3980589
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-[dimethylcarbamoyl(ethyl)amino]-N-(2-methylpropyl)acetamide
CID 3613982
3-butyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 5110049
1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-fluorophenyl)-1-(2-methylpropyl)urea
CID 3359110
4-chloro-N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4649921
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 4575195
N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-2-oxoethyl]-N-ethyloctanamide
CID 3278411
3-bromo-N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3913900

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide (CID 5029187) is 2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide is CC(C)CN(Cc1cccn1Cc1ccccc1Cl)C(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide?
The InChIKey is KKFPXJZGNXWAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O/c1-14(2)11-23(19(24)15(3)20)13-17-8-6-10-22(17)12-16-7-4-5-9-18(16)21/h4-10,14-15H,11-13H2,1-3H3.
What are the key properties of 2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide?
2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide has a molecular weight of 367.32 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 5029187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).