1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea

C18H21F2N3O2 — CID 74242617

IUPAC1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea
SMILESCc1cc(OC(F)F)ccc1NC(=O)NC(C)Cc1ncccc1C
InChIInChI=1S/C18H21F2N3O2/c1-11-5-4-8-21-16(11)10-13(3)22-18(24)23-15-7-6-14(9-12(15)2)25-17(19)20/h4-9,13,17H,10H2,1-3H3,(H2,22,23,24)
InChIKeyTYHRTXSNQOZCLR-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.05
Rot. Bonds6

About 1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea

1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea (PubChem CID 74242617) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea
PubChem CID74242617
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea
SMILESCc1cc(OC(F)F)ccc1NC(=O)NC(C)Cc1ncccc1C
InChIInChI=1S/C18H21F2N3O2/c1-11-5-4-8-21-16(11)10-13(3)22-18(24)23-15-7-6-14(9-12(15)2)25-17(19)20/h4-9,13,17H,10H2,1-3H3,(H2,22,23,24)
InChIKeyTYHRTXSNQOZCLR-UHFFFAOYSA-N
XLogP4.05
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea with MolForge

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Related Compounds

5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 125173476
3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid
CID 126439867
1-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(triazol-1-yl)propyl]urea
CID 72936586
1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305824
1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51080192
5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide
CID 97130600
(2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 94962141
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
2-(dimethylamino)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]pyridine-3-carboxamide
CID 125166898
N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 19475661
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide
CID 99973339
1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111104369

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea?
The IUPAC name of 1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea (CID 74242617) is 1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea?
The canonical SMILES for 1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea is Cc1cc(OC(F)F)ccc1NC(=O)NC(C)Cc1ncccc1C.
What is the InChIKey of 1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea?
The InChIKey is TYHRTXSNQOZCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-11-5-4-8-21-16(11)10-13(3)22-18(24)23-15-7-6-14(9-12(15)2)25-17(19)20/h4-9,13,17H,10H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea?
1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea has a molecular weight of 349.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea is sourced from PubChem (CID 74242617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).