1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea

C18H18Cl2F2N2O — CID 56527717

IUPAC1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)F)c1
InChIInChI=1S/C18H18Cl2F2N2O/c1-11(2)24(10-12-6-7-15(19)16(20)8-12)18(25)23-14-5-3-4-13(9-14)17(21)22/h3-9,11,17H,10H2,1-2H3,(H,23,25)
InChIKeyQIGYLMDRANSCFD-UHFFFAOYSA-N
MW387.26 g/mol
LogP6.37
Rot. Bonds5

About 1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea

1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea (PubChem CID 56527717) has the molecular formula C18H18Cl2F2N2O and a molecular weight of 387.26 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea
PubChem CID56527717
Molecular FormulaC18H18Cl2F2N2O
Molecular Weight387.26 g/mol
Exact Mass386.08
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)F)c1
InChIInChI=1S/C18H18Cl2F2N2O/c1-11(2)24(10-12-6-7-15(19)16(20)8-12)18(25)23-14-5-3-4-13(9-14)17(21)22/h3-9,11,17H,10H2,1-2H3,(H,23,25)
InChIKeyQIGYLMDRANSCFD-UHFFFAOYSA-N
XLogP6.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.26
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)urea
CID 56527715
N-tert-butyl-3-[[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]amino]benzamide
CID 56527666
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
[3-[[(3-chloro-4-fluorophenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate
CID 4048694
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
2-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 107904496
[4-[[butan-2-yl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate
CID 3539960
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 42696051
2-bromo-N-[(3,4-dichlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 63463541
N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride
CID 119740289
1-benzyl-3-(3,4-dichlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea
CID 42695686

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea (CID 56527717) is 1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea is CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)F)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea?
The InChIKey is QIGYLMDRANSCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2F2N2O/c1-11(2)24(10-12-6-7-15(19)16(20)8-12)18(25)23-14-5-3-4-13(9-14)17(21)22/h3-9,11,17H,10H2,1-2H3,(H,23,25).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea?
1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea has a molecular weight of 387.26 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea is sourced from PubChem (CID 56527717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).