N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide

C19H23FN4O2 — CID 51946412

IUPACN-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)ccc1F
InChIInChI=1S/C19H23FN4O2/c1-13(24(3)16-7-5-4-6-8-16)12-21-19(26)23-15-9-10-17(20)18(11-15)22-14(2)25/h4-11,13H,12H2,1-3H3,(H,22,25)(H2,21,23,26)/t13-/m1/s1
InChIKeyKYAGZTCWRFTVHE-CYBMUJFWSA-N
MW358.42 g/mol
LogP3.43
Rot. Bonds6

About N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide

N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide (PubChem CID 51946412) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide
PubChem CID51946412
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)ccc1F
InChIInChI=1S/C19H23FN4O2/c1-13(24(3)16-7-5-4-6-8-16)12-21-19(26)23-15-9-10-17(20)18(11-15)22-14(2)25/h4-11,13H,12H2,1-3H3,(H,22,25)(H2,21,23,26)/t13-/m1/s1
InChIKeyKYAGZTCWRFTVHE-CYBMUJFWSA-N
XLogP3.43
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(N-methylanilino)propyl]urea
CID 112826091
N-[5-[[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide
CID 99785703
N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide
CID 99785702
1-(2-cyano-4-fluorophenyl)-3-[2-(N-methylanilino)propyl]urea
CID 78896423
2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide
CID 31773500
1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 51954037
1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51946427
1-[(2S)-2-(N-methylanilino)propyl]-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
CID 52501543
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide
CID 87039893
1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea
CID 94078524
1-[2-(N-methylanilino)propyl]-3-[4-(1-methylimidazole-2-carbonyl)phenyl]urea
CID 51115577

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide (CID 51946412) is N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide is CC(=O)Nc1cc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide?
The InChIKey is KYAGZTCWRFTVHE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-13(24(3)16-7-5-4-6-8-16)12-21-19(26)23-15-9-10-17(20)18(11-15)22-14(2)25/h4-11,13H,12H2,1-3H3,(H,22,25)(H2,21,23,26)/t13-/m1/s1.
What are the key properties of N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide?
N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide has a molecular weight of 358.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 51946412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).