1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea

C19H24FN3O — CID 60544381

IUPAC1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea
SMILESCN(C)CC(Cc1ccccc1)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-23(2)14-18(12-15-6-4-3-5-7-15)22-19(24)21-13-16-8-10-17(20)11-9-16/h3-11,18H,12-14H2,1-2H3,(H2,21,22,24)
InChIKeyIVBFSCKVNSNDID-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.80
Rot. Bonds7

About 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea

1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 60544381) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID60544381
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea
SMILESCN(C)CC(Cc1ccccc1)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-23(2)14-18(12-15-6-4-3-5-7-15)22-19(24)21-13-16-8-10-17(20)11-9-16/h3-11,18H,12-14H2,1-2H3,(H2,21,22,24)
InChIKeyIVBFSCKVNSNDID-UHFFFAOYSA-N
XLogP2.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628917
1-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628915
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936634
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 146198443
(3R)-3-(benzylamino)-4-(4-fluorophenyl)butanoic acid
CID 69228674
1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 60544383
N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-2-naphthalen-1-ylacetamide
CID 97195739
1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea
CID 87000345
1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 86994324
2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide
CID 51323356
tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate
CID 142063959

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea (CID 60544381) is 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea is CN(C)CC(Cc1ccccc1)NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is IVBFSCKVNSNDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-23(2)14-18(12-15-6-4-3-5-7-15)22-19(24)21-13-16-8-10-17(20)11-9-16/h3-11,18H,12-14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea?
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 329.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 60544381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).