N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide

C21H21F3N2O5 — CID 55639888

IUPACN-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C21H21F3N2O5/c1-29-17-11-15(20(28)26-9-3-4-10-26)16(12-18(17)30-2)25-19(27)13-5-7-14(8-6-13)31-21(22,23)24/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,25,27)
InChIKeySTZHJTLMTFFRMU-UHFFFAOYSA-N
MW438.40 g/mol
LogP4.09
Rot. Bonds6

About N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide

N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 55639888) has the molecular formula C21H21F3N2O5 and a molecular weight of 438.40 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
PubChem CID55639888
Molecular FormulaC21H21F3N2O5
Molecular Weight438.40 g/mol
Exact Mass438.14
IUPAC NameN-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C21H21F3N2O5/c1-29-17-11-15(20(28)26-9-3-4-10-26)16(12-18(17)30-2)25-19(27)13-5-7-14(8-6-13)31-21(22,23)24/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,25,27)
InChIKeySTZHJTLMTFFRMU-UHFFFAOYSA-N
XLogP4.09
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
CID 55639792
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55761058
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 30684530
N-[2-(1,4-diazepane-1-carbonyl)-4,5-dimethoxyphenyl]benzamide
CID 119417744
N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119403063
methyl 4-pyrrolidin-1-yl-3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 55517601
N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 55905383
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55639331
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 166406023
5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120620884
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55639759
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55639644

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide (CID 55639888) is N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide is COc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(C(=O)N2CCCC2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is STZHJTLMTFFRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O5/c1-29-17-11-15(20(28)26-9-3-4-10-26)16(12-18(17)30-2)25-19(27)13-5-7-14(8-6-13)31-21(22,23)24/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,25,27).
What are the key properties of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide?
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 438.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 55639888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).