3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide

C20H22FN3O2 — CID 119048893

IUPAC3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNC(=O)Nc2ccc(C3CC3)c(F)c2)c1
InChIInChI=1S/C20H22FN3O2/c1-2-22-19(25)15-5-3-4-13(10-15)12-23-20(26)24-16-8-9-17(14-6-7-14)18(21)11-16/h3-5,8-11,14H,2,6-7,12H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyDILQNNLHTKVNHQ-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.77
Rot. Bonds6

About 3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide

3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide (PubChem CID 119048893) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide
PubChem CID119048893
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNC(=O)Nc2ccc(C3CC3)c(F)c2)c1
InChIInChI=1S/C20H22FN3O2/c1-2-22-19(25)15-5-3-4-13(10-15)12-23-20(26)24-16-8-9-17(14-6-7-14)18(21)11-16/h3-5,8-11,14H,2,6-7,12H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyDILQNNLHTKVNHQ-UHFFFAOYSA-N
XLogP3.77
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide
CID 55804667
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CID 169452670
3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
CID 119734803
1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47194938
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
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N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide
CID 71871569
1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea
CID 55747688
3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide
CID 20667039
3-[[[N-[(2,5-difluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111901758
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
3-[(ethylcarbamoylamino)methyl]benzoic acid
CID 60895497

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide?
The IUPAC name of 3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide (CID 119048893) is 3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide?
The canonical SMILES for 3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide is CCNC(=O)c1cccc(CNC(=O)Nc2ccc(C3CC3)c(F)c2)c1.
What is the InChIKey of 3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide?
The InChIKey is DILQNNLHTKVNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-2-22-19(25)15-5-3-4-13(10-15)12-23-20(26)24-16-8-9-17(14-6-7-14)18(21)11-16/h3-5,8-11,14H,2,6-7,12H2,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of 3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide?
3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide has a molecular weight of 355.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 119048893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).