2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide

C17H20ClN3O2 — CID 124609410

IUPAC2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide
SMILESC[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(C(N)=O)c[nH]1
InChIInChI=1S/C17H20ClN3O2/c1-10(12-4-6-14(18)7-5-12)11(2)21(3)17(23)15-8-13(9-20-15)16(19)22/h4-11,20H,1-3H3,(H2,19,22)/t10-,11+/m0/s1
InChIKeyZFCAKTSODXUMLF-WDEREUQCSA-N
MW333.82 g/mol
LogP3.03
Rot. Bonds5

About 2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide

2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide (PubChem CID 124609410) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide
PubChem CID124609410
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide
SMILESC[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(C(N)=O)c[nH]1
InChIInChI=1S/C17H20ClN3O2/c1-10(12-4-6-14(18)7-5-12)11(2)21(3)17(23)15-8-13(9-20-15)16(19)22/h4-11,20H,1-3H3,(H2,19,22)/t10-,11+/m0/s1
InChIKeyZFCAKTSODXUMLF-WDEREUQCSA-N
XLogP3.03
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide with MolForge

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Related Compounds

2-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide
CID 96528879
2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide
CID 96528892
4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide
CID 120563545
2-(aminomethyl)-N-[(2R,3S)-3-(4-chlorophenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 124693506
4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide;hydrochloride
CID 120563544
2-[[(2S,3R)-3-(4-chlorophenyl)butan-2-yl]-methylamino]acetic acid
CID 100638991
2-[[(2S,3S)-3-(4-chlorophenyl)butan-2-yl]-methylamino]acetic acid
CID 100639003
N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide
CID 119807690
4-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 56811278
4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide
CID 61115899
N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119807677
6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388491

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide?
The IUPAC name of 2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide (CID 124609410) is 2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide is C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(C(N)=O)c[nH]1.
What is the InChIKey of 2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide?
The InChIKey is ZFCAKTSODXUMLF-WDEREUQCSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-10(12-4-6-14(18)7-5-12)11(2)21(3)17(23)15-8-13(9-20-15)16(19)22/h4-11,20H,1-3H3,(H2,19,22)/t10-,11+/m0/s1.
What are the key properties of 2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide?
2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide is sourced from PubChem (CID 124609410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).