N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide

C23H24Cl2N2O — CID 7397535

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide
SMILESCC[C@@H](C)N(Cc1cccn1Cc1ccccc1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H24Cl2N2O/c1-3-17(2)27(23(28)21-12-11-19(24)14-22(21)25)16-20-10-7-13-26(20)15-18-8-5-4-6-9-18/h4-14,17H,3,15-16H2,1-2H3/t17-/m1/s1
InChIKeyHFALNQRGNJDNFZ-QGZVFWFLSA-N
MW415.36 g/mol
LogP6.28
Rot. Bonds7

About N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide

N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide (PubChem CID 7397535) has the molecular formula C23H24Cl2N2O and a molecular weight of 415.36 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide
PubChem CID7397535
Molecular FormulaC23H24Cl2N2O
Molecular Weight415.36 g/mol
Exact Mass414.13
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide
SMILESCC[C@@H](C)N(Cc1cccn1Cc1ccccc1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H24Cl2N2O/c1-3-17(2)27(23(28)21-12-11-19(24)14-22(21)25)16-20-10-7-13-26(20)15-18-8-5-4-6-9-18/h4-14,17H,3,15-16H2,1-2H3/t17-/m1/s1
InChIKeyHFALNQRGNJDNFZ-QGZVFWFLSA-N
XLogP6.28
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.36
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(2S)-butan-2-yl]-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methylbenzamide
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N-butan-2-yl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2,6-dimethoxybenzamide
CID 3884504
N-butan-2-yl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methylbenzamide
CID 3466397
N-[(1-benzylpyrrol-2-yl)methyl]-N-butan-2-yl-3,5-dimethoxybenzamide
CID 42764416
N-butan-2-yl-2-chloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]propanamide
CID 3946261
N-[(2R)-butan-2-yl]-3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide
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N-butan-2-yl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]pentanamide
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N-[(2S)-butan-2-yl]-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanecarboxamide
CID 810447
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-fluoro-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 7271486
N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-4-hexylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide (CID 7397535) is N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide is CC[C@@H](C)N(Cc1cccn1Cc1ccccc1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide?
The InChIKey is HFALNQRGNJDNFZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24Cl2N2O/c1-3-17(2)27(23(28)21-12-11-19(24)14-22(21)25)16-20-10-7-13-26(20)15-18-8-5-4-6-9-18/h4-14,17H,3,15-16H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide?
N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide has a molecular weight of 415.36 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide is sourced from PubChem (CID 7397535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).