2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide

C19H22ClFN4O2 — CID 60543539

IUPAC2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)NCC(c2cccc(F)c2)N(C)C)cc1Cl
InChIInChI=1S/C19H22ClFN4O2/c1-22-18(26)15-8-7-14(10-16(15)20)24-19(27)23-11-17(25(2)3)12-5-4-6-13(21)9-12/h4-10,17H,11H2,1-3H3,(H,22,26)(H2,23,24,27)
InChIKeyWTPCKONEGLNACF-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.26
Rot. Bonds6

About 2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide

2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide (PubChem CID 60543539) has the molecular formula C19H22ClFN4O2 and a molecular weight of 392.86 g/mol. Its IUPAC name is 2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide
PubChem CID60543539
Molecular FormulaC19H22ClFN4O2
Molecular Weight392.86 g/mol
Exact Mass392.14
IUPAC Name2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)NCC(c2cccc(F)c2)N(C)C)cc1Cl
InChIInChI=1S/C19H22ClFN4O2/c1-22-18(26)15-8-7-14(10-16(15)20)24-19(27)23-11-17(25(2)3)12-5-4-6-13(21)9-12/h4-10,17H,11H2,1-3H3,(H,22,26)(H2,23,24,27)
InChIKeyWTPCKONEGLNACF-UHFFFAOYSA-N
XLogP3.26
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide
CID 55699014
2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47325563
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 24528863
2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 60543458
2-(2-chloro-6-fluorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 51179425
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
2,4-dichloro-N-[1-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55337142
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea
CID 20856780
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 42907160

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide?
The IUPAC name of 2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide (CID 60543539) is 2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)NCC(c2cccc(F)c2)N(C)C)cc1Cl.
What is the InChIKey of 2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide?
The InChIKey is WTPCKONEGLNACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O2/c1-22-18(26)15-8-7-14(10-16(15)20)24-19(27)23-11-17(25(2)3)12-5-4-6-13(21)9-12/h4-10,17H,11H2,1-3H3,(H,22,26)(H2,23,24,27).
What are the key properties of 2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide?
2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide has a molecular weight of 392.86 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide is sourced from PubChem (CID 60543539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).