N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide

C20H25FN4O2 — CID 99785702

IUPACN-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)ccc1F
InChIInChI=1S/C20H25FN4O2/c1-13(19(25(3)4)15-8-6-5-7-9-15)22-20(27)24-16-10-11-17(21)18(12-16)23-14(2)26/h5-13,19H,1-4H3,(H,23,26)(H2,22,24,27)/t13-,19-/m0/s1
InChIKeyLVOUUNUSAORPII-DJJJIMSYSA-N
MW372.44 g/mol
LogP3.60
Rot. Bonds6

About N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide

N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide (PubChem CID 99785702) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide
PubChem CID99785702
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)ccc1F
InChIInChI=1S/C20H25FN4O2/c1-13(19(25(3)4)15-8-6-5-7-9-15)22-20(27)24-16-10-11-17(21)18(12-16)23-14(2)26/h5-13,19H,1-4H3,(H,23,26)(H2,22,24,27)/t13-,19-/m0/s1
InChIKeyLVOUUNUSAORPII-DJJJIMSYSA-N
XLogP3.60
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide with MolForge

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Related Compounds

N-[5-[[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide
CID 99785703
N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide
CID 51946412
1-(3-cyano-4-propan-2-yloxyphenyl)-3-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]urea
CID 99800243
4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide
CID 129358274
N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide
CID 86988262
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 100612459
tert-butyl N-[5-[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]-2-fluorophenyl]carbamate
CID 86970318
N-[2-fluoro-5-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 60927576
N-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 86926160
1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea
CID 17087618
N-[2-fluoro-5-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 60928627

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide (CID 99785702) is N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)ccc1F.
What is the InChIKey of N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide?
The InChIKey is LVOUUNUSAORPII-DJJJIMSYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-13(19(25(3)4)15-8-6-5-7-9-15)22-20(27)24-16-10-11-17(21)18(12-16)23-14(2)26/h5-13,19H,1-4H3,(H,23,26)(H2,22,24,27)/t13-,19-/m0/s1.
What are the key properties of N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide?
N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide has a molecular weight of 372.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 99785702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).