N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

C17H19ClF2N2O2 — CID 112794545

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C)n1C(C)C
InChIInChI=1S/C17H19ClF2N2O2/c1-9(2)22-10(3)7-13(11(22)4)16(23)21-12-5-6-15(14(18)8-12)24-17(19)20/h5-9,17H,1-4H3,(H,21,23)
InChIKeyWQQHTRAUHKMLGU-UHFFFAOYSA-N
MW356.80 g/mol
LogP5.19
Rot. Bonds5

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 112794545) has the molecular formula C17H19ClF2N2O2 and a molecular weight of 356.80 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID112794545
Molecular FormulaC17H19ClF2N2O2
Molecular Weight356.80 g/mol
Exact Mass356.11
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C)n1C(C)C
InChIInChI=1S/C17H19ClF2N2O2/c1-9(2)22-10(3)7-13(11(22)4)16(23)21-12-5-6-15(14(18)8-12)24-17(19)20/h5-9,17H,1-4H3,(H,21,23)
InChIKeyWQQHTRAUHKMLGU-UHFFFAOYSA-N
XLogP5.19
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.80
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 37040206
N-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 119419370
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 9095989
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
CID 26901544
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26901535
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
N-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 8920973
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(dimethylamino)benzamide
CID 24576004
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 26901420
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 112794545) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C)n1C(C)C.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is WQQHTRAUHKMLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF2N2O2/c1-9(2)22-10(3)7-13(11(22)4)16(23)21-12-5-6-15(14(18)8-12)24-17(19)20/h5-9,17H,1-4H3,(H,21,23).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 356.80 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 112794545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).