N-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide

C18H20F2N4O2 — CID 86871223

IUPACN-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1
InChIInChI=1S/C18H20F2N4O2/c1-11(25)22-13-5-6-14(19)16(9-13)23-18(26)21-10-12-4-7-17(24(2)3)15(20)8-12/h4-9H,10H2,1-3H3,(H,22,25)(H2,21,23,26)
InChIKeyMILZLEZJACHXKO-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.31
Rot. Bonds5

About N-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide

N-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide (PubChem CID 86871223) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide
PubChem CID86871223
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC NameN-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1
InChIInChI=1S/C18H20F2N4O2/c1-11(25)22-13-5-6-14(19)16(9-13)23-18(26)21-10-12-4-7-17(24(2)3)15(20)8-12/h4-9H,10H2,1-3H3,(H,22,25)(H2,21,23,26)
InChIKeyMILZLEZJACHXKO-UHFFFAOYSA-N
XLogP3.31
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[[4-(dimethylamino)-3-fluorophenyl]methyl]urea
CID 86870507
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110910378
N-[2-fluoro-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 74249456
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672553
N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
CID 46686963
methyl 3-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-4-fluorobenzoate
CID 86994013
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86870833
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110910380
N-benzyl-5-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-(dimethylamino)benzamide
CID 42659105
N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 56801848
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630802

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide (CID 86871223) is N-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1.
What is the InChIKey of N-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide?
The InChIKey is MILZLEZJACHXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c1-11(25)22-13-5-6-14(19)16(9-13)23-18(26)21-10-12-4-7-17(24(2)3)15(20)8-12/h4-9H,10H2,1-3H3,(H,22,25)(H2,21,23,26).
What are the key properties of N-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide?
N-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide has a molecular weight of 362.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide is sourced from PubChem (CID 86871223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).