N-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide

C20H24FN3O4 — CID 1428124

IUPACN-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide
SMILESCCOc1cc(NC(=O)Nc2ccc(F)cc2)c(OCC)cc1NC(=O)CC
InChIInChI=1S/C20H24FN3O4/c1-4-19(25)23-15-11-18(28-6-3)16(12-17(15)27-5-2)24-20(26)22-14-9-7-13(21)8-10-14/h7-12H,4-6H2,1-3H3,(H,23,25)(H2,22,24,26)
InChIKeyOCBFCEVNCLYOIB-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.62
Rot. Bonds8

About N-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide

N-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide (PubChem CID 1428124) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide
PubChem CID1428124
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC NameN-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide
SMILESCCOc1cc(NC(=O)Nc2ccc(F)cc2)c(OCC)cc1NC(=O)CC
InChIInChI=1S/C20H24FN3O4/c1-4-19(25)23-15-11-18(28-6-3)16(12-17(15)27-5-2)24-20(26)22-14-9-7-13(21)8-10-14/h7-12H,4-6H2,1-3H3,(H,23,25)(H2,22,24,26)
InChIKeyOCBFCEVNCLYOIB-UHFFFAOYSA-N
XLogP4.62
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-Dimethoxyphenyl)acetamide
CID 77015
1-(2,5-Dimethoxyphenyl)-3-phenyl-2-thiourea
CID 730557
1-(3-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25015710
2-Ethyl-N-(3-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
CID 16018053
1-(2,5-Dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea
CID 71718790
2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide
CID 796173
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 1241231
N-[3-[(2-ethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6469092
1-(3,4-Difluorophenyl)-3-(3-(3-morpholinopropoxy)phenyl)urea
CID 25014525
1-(2,4-Difluorophenyl)-3-(3-(3-morpholinopropoxy)phenyl)urea
CID 25014528
1-(4-Fluoro-3-(3-morpholinopropoxy)phenyl)-3-phenylurea
CID 25014778
1-(4-Fluoro-3-(3-morpholinopropoxy)phenyl)-3-(4-fluorophenyl)urea
CID 25015204

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide?
The IUPAC name of N-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide (CID 1428124) is N-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide?
The canonical SMILES for N-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide is CCOc1cc(NC(=O)Nc2ccc(F)cc2)c(OCC)cc1NC(=O)CC.
What is the InChIKey of N-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide?
The InChIKey is OCBFCEVNCLYOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-4-19(25)23-15-11-18(28-6-3)16(12-17(15)27-5-2)24-20(26)22-14-9-7-13(21)8-10-14/h7-12H,4-6H2,1-3H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide?
N-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide has a molecular weight of 389.43 g/mol, XLogP of 4.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[(4-fluorophenyl)carbamoylamino]phenyl]propanamide is sourced from PubChem (CID 1428124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).