N-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C16H18Cl2N2O2 — CID 7927989

IUPACN-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NCc2ccc(Cl)cc2Cl)c(C)c1[C@@H](C)O
InChIInChI=1S/C16H18Cl2N2O2/c1-8-14(10(3)21)9(2)20-15(8)16(22)19-7-11-4-5-12(17)6-13(11)18/h4-6,10,20-21H,7H2,1-3H3,(H,19,22)/t10-/m1/s1
InChIKeyUTADZQDQXOCPFO-SNVBAGLBSA-N
MW341.24 g/mol
LogP3.92
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

N-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 7927989) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID7927989
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NCc2ccc(Cl)cc2Cl)c(C)c1[C@@H](C)O
InChIInChI=1S/C16H18Cl2N2O2/c1-8-14(10(3)21)9(2)20-15(8)16(22)19-7-11-4-5-12(17)6-13(11)18/h4-6,10,20-21H,7H2,1-3H3,(H,19,22)/t10-/m1/s1
InChIKeyUTADZQDQXOCPFO-SNVBAGLBSA-N
XLogP3.92
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)methyl 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7571096
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
CID 2446682
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
N-[(2,4-dichlorophenyl)methyl]-2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]benzamide
CID 67131997
3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide
CID 115154234
N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide
CID 162436580
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
N-[(2,4-dichlorophenyl)methyl]-2-(methanesulfonamido)benzamide
CID 31321210
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 62675142
[2-(3-chloroanilino)-2-oxoethyl] 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2660197
2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 4264169

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 7927989) is N-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is Cc1[nH]c(C(=O)NCc2ccc(Cl)cc2Cl)c(C)c1[C@@H](C)O.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is UTADZQDQXOCPFO-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c1-8-14(10(3)21)9(2)20-15(8)16(22)19-7-11-4-5-12(17)6-13(11)18/h4-6,10,20-21H,7H2,1-3H3,(H,19,22)/t10-/m1/s1.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 341.24 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 7927989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).