1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea

C19H21FN2O2 — CID 11674299

IUPAC1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NC1CC(C)(C)Oc2ccc(F)cc21
InChIInChI=1S/C19H21FN2O2/c1-12-6-4-5-7-15(12)21-18(23)22-16-11-19(2,3)24-17-9-8-13(20)10-14(16)17/h4-10,16H,11H2,1-3H3,(H2,21,22,23)
InChIKeyPUBUILBOSJIILZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.56
Rot. Bonds2

About 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea

1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea (PubChem CID 11674299) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea
PubChem CID11674299
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NC1CC(C)(C)Oc2ccc(F)cc21
InChIInChI=1S/C19H21FN2O2/c1-12-6-4-5-7-15(12)21-18(23)22-16-11-19(2,3)24-17-9-8-13(20)10-14(16)17/h4-10,16H,11H2,1-3H3,(H2,21,22,23)
InChIKeyPUBUILBOSJIILZ-UHFFFAOYSA-N
XLogP4.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methyl-2-oxo-1,4-dihydroquinazolin-7-yl)-3-[(2R,4R)-2-methyl-2-(trifluoromethyl)-3,4-dihydrochromen-4-yl]urea
CID 71611619
1-[(4R)-7,8-difluoro-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 71611907
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(4-methoxy-phenyl)-urea
CID 11363006
1-(4-fluorophenyl)-3-[(3R,4S)-4-(4-methoxyphenyl)oxolan-3-yl]urea
CID 124093849
1-[2-(4-Fluoro-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 10915843
1-[2-(4-Methoxy-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 11025578
1-(1-Benzyl-propyl)-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 11760541
1-(4-Methoxyphenyl)-3-(1-phenylethyl)urea
CID 2837289
N-[(2-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9156652
N-(2-ethoxyphenyl)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 24818440
6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydroquinoline-1(2H)-carboxamide
CID 2897839
1-[1-(3-Methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2954802

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea (CID 11674299) is 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NC1CC(C)(C)Oc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea?
The InChIKey is PUBUILBOSJIILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-12-6-4-5-7-15(12)21-18(23)22-16-11-19(2,3)24-17-9-8-13(20)10-14(16)17/h4-10,16H,11H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea?
1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea has a molecular weight of 328.39 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 11674299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).