(2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide

C19H17FN2O — CID 32736092

IUPAC(2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide
SMILESC[C@H](Nc1ccc(F)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H17FN2O/c1-13(21-16-11-9-15(20)10-12-16)19(23)22-18-8-4-6-14-5-2-3-7-17(14)18/h2-13,21H,1H3,(H,22,23)/t13-/m0/s1
InChIKeyOSHQSNNMFCKKQE-ZDUSSCGKSA-N
MW308.36 g/mol
LogP4.42
Rot. Bonds4

About (2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide

(2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide (PubChem CID 32736092) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is (2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide
PubChem CID32736092
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name(2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide
SMILESC[C@H](Nc1ccc(F)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H17FN2O/c1-13(21-16-11-9-15(20)10-12-16)19(23)22-18-8-4-6-14-5-2-3-7-17(14)18/h2-13,21H,1H3,(H,22,23)/t13-/m0/s1
InChIKeyOSHQSNNMFCKKQE-ZDUSSCGKSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-fluoroanilino)-N-naphthalen-1-ylpropanamide
CID 7872612
N-(2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 51242355
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049
2-bromo-2-fluoro-N-naphthalen-1-ylacetamide
CID 163361767
N-naphthalen-1-yl-2-(propylsulfonylamino)propanamide
CID 67204882

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide?
The IUPAC name of (2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide (CID 32736092) is (2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide?
The canonical SMILES for (2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide is C[C@H](Nc1ccc(F)cc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide?
The InChIKey is OSHQSNNMFCKKQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-13(21-16-11-9-15(20)10-12-16)19(23)22-18-8-4-6-14-5-2-3-7-17(14)18/h2-13,21H,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide?
(2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide has a molecular weight of 308.36 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 32736092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).