N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H15ClFNO — CID 7668668

IUPACN-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H15ClFNO/c18-15-10-14(7-8-16(15)19)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h5-10H,1-4H2,(H,20,21)
InChIKeyOCTRQNXTXSUQKG-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.61
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 7668668) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID7668668
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H15ClFNO/c18-15-10-14(7-8-16(15)19)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h5-10H,1-4H2,(H,20,21)
InChIKeyOCTRQNXTXSUQKG-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703046
3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 82877814
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide
CID 63187596
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
CID 167246589
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide
CID 103220953
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 7668668) is N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is OCTRQNXTXSUQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-15-10-14(7-8-16(15)19)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h5-10H,1-4H2,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 303.76 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 7668668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).