N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide

C19H13ClF3NO2 — CID 7930859

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H13ClF3NO2/c1-26-17-9-12-5-3-2-4-11(12)8-14(17)18(25)24-13-6-7-16(20)15(10-13)19(21,22)23/h2-10H,1H3,(H,24,25)
InChIKeyGQLQJGILSXMFCI-UHFFFAOYSA-N
MW379.77 g/mol
LogP5.77
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 7930859) has the molecular formula C19H13ClF3NO2 and a molecular weight of 379.77 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID7930859
Molecular FormulaC19H13ClF3NO2
Molecular Weight379.77 g/mol
Exact Mass379.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H13ClF3NO2/c1-26-17-9-12-5-3-2-4-11(12)8-14(17)18(25)24-13-6-7-16(20)15(10-13)19(21,22)23/h2-10H,1H3,(H,24,25)
InChIKeyGQLQJGILSXMFCI-UHFFFAOYSA-N
XLogP5.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.77
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 44871489
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 729859
N-(3-fluorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 802408
N-[2-chloro-5-(phenylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 2268765
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea
CID 97455774
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 3340464
[(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate
CID 2396225
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19496923
methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 92679714
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 92670451
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide
CID 39899496
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1378947

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide (CID 7930859) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is GQLQJGILSXMFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NO2/c1-26-17-9-12-5-3-2-4-11(12)8-14(17)18(25)24-13-6-7-16(20)15(10-13)19(21,22)23/h2-10H,1H3,(H,24,25).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 379.77 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 7930859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).