N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide

C14H15ClN2O — CID 110691306

IUPACN-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2)c(C)n1C
InChIInChI=1S/C14H15ClN2O/c1-9-7-13(10(2)17(9)3)14(18)16-12-6-4-5-11(15)8-12/h4-8H,1-3H3,(H,16,18)
InChIKeyCTRDTODUADMELU-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.55
Rot. Bonds2

About N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide

N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 110691306) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide
PubChem CID110691306
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2)c(C)n1C
InChIInChI=1S/C14H15ClN2O/c1-9-7-13(10(2)17(9)3)14(18)16-12-6-4-5-11(15)8-12/h4-8H,1-3H3,(H,16,18)
InChIKeyCTRDTODUADMELU-UHFFFAOYSA-N
XLogP3.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550042
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 110695775
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
ethyl 4-[(3-chlorophenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 4168784
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393
N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498793
N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 123777570
N-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 16651378
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
2-[[5-(3-chloroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 8675543
N-(3-chlorophenyl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 56737907

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide (CID 110691306) is N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(Cl)c2)c(C)n1C.
What is the InChIKey of N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is CTRDTODUADMELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-7-13(10(2)17(9)3)14(18)16-12-6-4-5-11(15)8-12/h4-8H,1-3H3,(H,16,18).
What are the key properties of N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide?
N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 262.74 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 110691306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).