N-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide

C20H22FN3O2 — CID 60595720

IUPACN-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)NC1CC1c1cccc(F)c1
InChIInChI=1S/C20H22FN3O2/c1-2-13-6-3-4-9-17(13)23-19(25)12-22-20(26)24-18-11-16(18)14-7-5-8-15(21)10-14/h3-10,16,18H,2,11-12H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyHDUSJLMBQWFEAS-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.18
Rot. Bonds6

About N-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide

N-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide (PubChem CID 60595720) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide
PubChem CID60595720
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)NC1CC1c1cccc(F)c1
InChIInChI=1S/C20H22FN3O2/c1-2-13-6-3-4-9-17(13)23-19(25)12-22-20(26)24-18-11-16(18)14-7-5-8-15(21)10-14/h3-10,16,18H,2,11-12H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyHDUSJLMBQWFEAS-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 60595910
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea
CID 95141368
2-[3-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]amino]-3-oxopropyl]benzoic acid
CID 120613723
1-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea
CID 97320658
2-(2-ethylanilino)-N-(3-fluorophenyl)acetamide
CID 9105176
(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 95179447
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359275
(2R)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 124734525
2-(dimethylamino)-N-[2-(3-fluorophenyl)cyclopropyl]-2-phenylacetamide
CID 71883326
3-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]carbamoyl-methylamino]propanoic acid
CID 122012276
2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide
CID 95179354

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide (CID 60595720) is N-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide is CCc1ccccc1NC(=O)CNC(=O)NC1CC1c1cccc(F)c1.
What is the InChIKey of N-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide?
The InChIKey is HDUSJLMBQWFEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-2-13-6-3-4-9-17(13)23-19(25)12-22-20(26)24-18-11-16(18)14-7-5-8-15(21)10-14/h3-10,16,18H,2,11-12H2,1H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide?
N-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide has a molecular weight of 355.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide is sourced from PubChem (CID 60595720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).