N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide

C20H22FN3O2 — CID 46673676

IUPACN-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccccc1F
InChIInChI=1S/C20H22FN3O2/c1-13(17-7-2-3-8-18(17)21)23-20(26)22-12-14-5-4-6-16(11-14)24-19(25)15-9-10-15/h2-8,11,13,15H,9-10,12H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyNMMKFEQBEHCPNB-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.73
Rot. Bonds6

About N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 46673676) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID46673676
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccccc1F
InChIInChI=1S/C20H22FN3O2/c1-13(17-7-2-3-8-18(17)21)23-20(26)22-12-14-5-4-6-16(11-14)24-19(25)15-9-10-15/h2-8,11,13,15H,9-10,12H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyNMMKFEQBEHCPNB-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25349133
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 55629630
N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 24571435
N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30940006
N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 60580885
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide (CID 46673676) is N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide is CC(NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccccc1F.
What is the InChIKey of N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is NMMKFEQBEHCPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-13(17-7-2-3-8-18(17)21)23-20(26)22-12-14-5-4-6-16(11-14)24-19(25)15-9-10-15/h2-8,11,13,15H,9-10,12H2,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46673676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).