1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea

C18H20ClFN2O — CID 42951448

IUPAC1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea
SMILESCC(NC(=O)N(C)C(C)c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C18H20ClFN2O/c1-12(15-5-4-6-17(20)11-15)21-18(23)22(3)13(2)14-7-9-16(19)10-8-14/h4-13H,1-3H3,(H,21,23)
InChIKeyDVHNTYIJZIKEOK-UHFFFAOYSA-N
MW334.82 g/mol
LogP4.94
Rot. Bonds4

About 1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea

1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea (PubChem CID 42951448) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea
PubChem CID42951448
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea
SMILESCC(NC(=O)N(C)C(C)c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C18H20ClFN2O/c1-12(15-5-4-6-17(20)11-15)21-18(23)22(3)13(2)14-7-9-16(19)10-8-14/h4-13H,1-3H3,(H,21,23)
InChIKeyDVHNTYIJZIKEOK-UHFFFAOYSA-N
XLogP4.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea 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

N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065
1-[1-(4-chlorophenyl)ethyl]-3-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-methylurea
CID 42889930
2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 115540519
2-[[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 42913912
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
(2S)-2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107827647

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea (CID 42951448) is 1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea is CC(NC(=O)N(C)C(C)c1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea?
The InChIKey is DVHNTYIJZIKEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O/c1-12(15-5-4-6-17(20)11-15)21-18(23)22(3)13(2)14-7-9-16(19)10-8-14/h4-13H,1-3H3,(H,21,23).
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea?
1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea has a molecular weight of 334.82 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 42951448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).