N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide

C20H19ClF2N4O2 — CID 166197234

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C20H19ClF2N4O2/c1-3-27(10-17(28)24-15-9-13(21)6-4-11(15)2)20(29)12-5-7-14-16(8-12)26-19(25-14)18(22)23/h4-9,18H,3,10H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyHQZNOHFPYUPCJR-UHFFFAOYSA-N
MW420.85 g/mol
LogP4.56
Rot. Bonds6

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide (PubChem CID 166197234) has the molecular formula C20H19ClF2N4O2 and a molecular weight of 420.85 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide
PubChem CID166197234
Molecular FormulaC20H19ClF2N4O2
Molecular Weight420.85 g/mol
Exact Mass420.12
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C20H19ClF2N4O2/c1-3-27(10-17(28)24-15-9-13(21)6-4-11(15)2)20(29)12-5-7-14-16(8-12)26-19(25-14)18(22)23/h4-9,18H,3,10H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyHQZNOHFPYUPCJR-UHFFFAOYSA-N
XLogP4.56
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-ethylbenzamide
CID 16552137
N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
CID 56539158
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834006
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-oxochromene-3-carboxamide
CID 18112982
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3,4-dimethyl-N-propylbenzamide
CID 112789981
2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide
CID 143659496
(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
CID 8960410
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 7761058
3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid
CID 167851863
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636423
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide
CID 8599257
2-(difluoromethyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 56563721

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide (CID 166197234) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc2nc(C(F)F)[nH]c2c1.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide?
The InChIKey is HQZNOHFPYUPCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N4O2/c1-3-27(10-17(28)24-15-9-13(21)6-4-11(15)2)20(29)12-5-7-14-16(8-12)26-19(25-14)18(22)23/h4-9,18H,3,10H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide has a molecular weight of 420.85 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 166197234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).