2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide

C17H17ClFN3O2 — CID 60543458

IUPAC2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)NCCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C17H17ClFN3O2/c1-20-16(23)14-7-6-13(10-15(14)18)22-17(24)21-9-8-11-2-4-12(19)5-3-11/h2-7,10H,8-9H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyOWSWFCKRDDNVGI-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.20
Rot. Bonds5

About 2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide

2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide (PubChem CID 60543458) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
PubChem CID60543458
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)NCCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C17H17ClFN3O2/c1-20-16(23)14-7-6-13(10-15(14)18)22-17(24)21-9-8-11-2-4-12(19)5-3-11/h2-7,10H,8-9H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyOWSWFCKRDDNVGI-UHFFFAOYSA-N
XLogP3.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide
CID 60543564
2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47325563
N-[3-chloro-4-(methylcarbamoyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 94632130
2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide
CID 49285412
2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide
CID 60543539
1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108902232
1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea
CID 47154313
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
1-[2-(4-fluorophenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871934
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901858
2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide
CID 47325828

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide?
The IUPAC name of 2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide (CID 60543458) is 2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)NCCc2ccc(F)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide?
The InChIKey is OWSWFCKRDDNVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c1-20-16(23)14-7-6-13(10-15(14)18)22-17(24)21-9-8-11-2-4-12(19)5-3-11/h2-7,10H,8-9H2,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of 2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide?
2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide has a molecular weight of 349.79 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide is sourced from PubChem (CID 60543458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).