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

C24H27ClN2O — CID 7237278

IUPAC(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-(2-methylpropyl)-2-phenylacetamide
SMILESCC(C)CN(Cc1cccn1Cc1ccccc1)C(=O)[C@H](Cl)c1ccccc1
InChIInChI=1S/C24H27ClN2O/c1-19(2)16-27(24(28)23(25)21-12-7-4-8-13-21)18-22-14-9-15-26(22)17-20-10-5-3-6-11-20/h3-15,19,23H,16-18H2,1-2H3/t23-/m1/s1
InChIKeyUWVYBKYYJICWKG-HSZRJFAPSA-N
MW394.95 g/mol
LogP5.50
Rot. Bonds8

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

(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-(2-methylpropyl)-2-phenylacetamide (PubChem CID 7237278) has the molecular formula C24H27ClN2O and a molecular weight of 394.95 g/mol. Its IUPAC name is (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-(2-methylpropyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-(2-methylpropyl)-2-phenylacetamide
PubChem CID7237278
Molecular FormulaC24H27ClN2O
Molecular Weight394.95 g/mol
Exact Mass394.18
IUPAC Name(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-(2-methylpropyl)-2-phenylacetamide
SMILESCC(C)CN(Cc1cccn1Cc1ccccc1)C(=O)[C@H](Cl)c1ccccc1
InChIInChI=1S/C24H27ClN2O/c1-19(2)16-27(24(28)23(25)21-12-7-4-8-13-21)18-22-14-9-15-26(22)17-20-10-5-3-6-11-20/h3-15,19,23H,16-18H2,1-2H3/t23-/m1/s1
InChIKeyUWVYBKYYJICWKG-HSZRJFAPSA-N
XLogP5.50
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.95
LogP ≤ 55.50
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

N-benzyl-2-chloro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
CID 3646674
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 810308
2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide
CID 5029187
2,2-dichloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
CID 4020577
N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 810278
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide
CID 5025115
N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide
CID 4545612
2-[acetyl(2-methylpropyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 4306873
2-chloro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenyl-N-prop-2-enylacetamide
CID 42763882
2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 3263865
N-[2-[benzyl-[(1-benzylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-tert-butyl-N-(2-methylpropyl)benzamide
CID 4253983
N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide
CID 42762712

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-(2-methylpropyl)-2-phenylacetamide?
The IUPAC name of (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-(2-methylpropyl)-2-phenylacetamide (CID 7237278) is (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-(2-methylpropyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-(2-methylpropyl)-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-(2-methylpropyl)-2-phenylacetamide is CC(C)CN(Cc1cccn1Cc1ccccc1)C(=O)[C@H](Cl)c1ccccc1.
What is the InChIKey of (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-(2-methylpropyl)-2-phenylacetamide?
The InChIKey is UWVYBKYYJICWKG-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H27ClN2O/c1-19(2)16-27(24(28)23(25)21-12-7-4-8-13-21)18-22-14-9-15-26(22)17-20-10-5-3-6-11-20/h3-15,19,23H,16-18H2,1-2H3/t23-/m1/s1.
What are the key properties of (2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-(2-methylpropyl)-2-phenylacetamide?
(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-(2-methylpropyl)-2-phenylacetamide has a molecular weight of 394.95 g/mol, XLogP of 5.50, 8 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-(2-methylpropyl)-2-phenylacetamide is sourced from PubChem (CID 7237278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).