N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide

C26H21ClFN3O2 — CID 42705494

IUPACN-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCN(C(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H21ClFN3O2/c27-21-7-11-23(12-8-21)30-26(33)31(24-13-9-22(28)10-14-24)16-15-29-25(32)20-6-5-18-3-1-2-4-19(18)17-20/h1-14,17H,15-16H2,(H,29,32)(H,30,33)
InChIKeyYWRWAUBCFJIJBX-UHFFFAOYSA-N
MW461.92 g/mol
LogP6.10
Rot. Bonds6

About N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide

N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide (PubChem CID 42705494) has the molecular formula C26H21ClFN3O2 and a molecular weight of 461.92 g/mol. Its IUPAC name is N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide
PubChem CID42705494
Molecular FormulaC26H21ClFN3O2
Molecular Weight461.92 g/mol
Exact Mass461.13
IUPAC NameN-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCN(C(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H21ClFN3O2/c27-21-7-11-23(12-8-21)30-26(33)31(24-13-9-22(28)10-14-24)16-15-29-25(32)20-6-5-18-3-1-2-4-19(18)17-20/h1-14,17H,15-16H2,(H,29,32)(H,30,33)
InChIKeyYWRWAUBCFJIJBX-UHFFFAOYSA-N
XLogP6.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.92
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42707208
3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide
CID 3519796
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
CID 42705451
3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide
CID 42708642
N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3-nitrobenzamide
CID 42708263
3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea
CID 42705518
4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 42702821
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42725862
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide
CID 42702747
1-[3-(butylcarbamoylamino)propyl]-3-(4-chlorophenyl)-1-(4-fluorophenyl)urea
CID 42704493

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide (CID 42705494) is N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide is O=C(NCCN(C(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide?
The InChIKey is YWRWAUBCFJIJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN3O2/c27-21-7-11-23(12-8-21)30-26(33)31(24-13-9-22(28)10-14-24)16-15-29-25(32)20-6-5-18-3-1-2-4-19(18)17-20/h1-14,17H,15-16H2,(H,29,32)(H,30,33).
What are the key properties of N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide?
N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide has a molecular weight of 461.92 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 42705494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).