1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea

C20H18FN3O — CID 95150596

IUPAC1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea
SMILESCN(C(=O)Nc1ccccc1)[C@@H](c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C20H18FN3O/c1-24(20(25)23-17-10-3-2-4-11-17)19(18-12-5-6-13-22-18)15-8-7-9-16(21)14-15/h2-14,19H,1H3,(H,23,25)/t19-/m0/s1
InChIKeyYYDYDAXQJFPBBU-IBGZPJMESA-N
MW335.38 g/mol
LogP4.47
Rot. Bonds4

About 1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea

1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea (PubChem CID 95150596) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea
PubChem CID95150596
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea
SMILESCN(C(=O)Nc1ccccc1)[C@@H](c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C20H18FN3O/c1-24(20(25)23-17-10-3-2-4-11-17)19(18-12-5-6-13-22-18)15-8-7-9-16(21)14-15/h2-14,19H,1H3,(H,23,25)/t19-/m0/s1
InChIKeyYYDYDAXQJFPBBU-IBGZPJMESA-N
XLogP4.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-prop-2-enylurea
CID 95330331
N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylcyclopentanecarboxamide
CID 95307336
N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide
CID 95330210
4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide
CID 52524823
N-(3-fluorophenyl)-2-phenyl-2-pyridin-2-ylacetamide
CID 110373414
2-(cyclopropylmethoxy)-N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylacetamide
CID 95282605
N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide
CID 95145307
3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 95163358
N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 52514636
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55880579
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea?
The IUPAC name of 1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea (CID 95150596) is 1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea.
What is the SMILES notation for 1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea?
The canonical SMILES for 1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea is CN(C(=O)Nc1ccccc1)[C@@H](c1cccc(F)c1)c1ccccn1.
What is the InChIKey of 1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea?
The InChIKey is YYDYDAXQJFPBBU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18FN3O/c1-24(20(25)23-17-10-3-2-4-11-17)19(18-12-5-6-13-22-18)15-8-7-9-16(21)14-15/h2-14,19H,1H3,(H,23,25)/t19-/m0/s1.
What are the key properties of 1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea?
1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea has a molecular weight of 335.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea is sourced from PubChem (CID 95150596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).