2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C18H18FN3O2 — CID 174592632

IUPAC2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESNCc1cccc(C2CC2(C(N)=O)C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FN3O2/c19-13-4-6-14(7-5-13)22-17(24)18(16(21)23)9-15(18)12-3-1-2-11(8-12)10-20/h1-8,15H,9-10,20H2,(H2,21,23)(H,22,24)
InChIKeyARFBWOYLROMEQI-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.88
Rot. Bonds5

About 2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 174592632) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID174592632
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESNCc1cccc(C2CC2(C(N)=O)C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FN3O2/c19-13-4-6-14(7-5-13)22-17(24)18(16(21)23)9-15(18)12-3-1-2-11(8-12)10-20/h1-8,15H,9-10,20H2,(H2,21,23)(H,22,24)
InChIKeyARFBWOYLROMEQI-UHFFFAOYSA-N
XLogP1.88
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 58987988
1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide
CID 69179253
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 104848502
ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 142389923
N-[4-(aminomethyl)phenyl]-2-(3-hydroxyphenyl)acetamide
CID 61399107
N-[4-(aminomethyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 16782278
N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787575
N-[4-(aminomethyl)phenyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide
CID 167442574
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 174592632) is 2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is NCc1cccc(C2CC2(C(N)=O)C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is ARFBWOYLROMEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-13-4-6-14(7-5-13)22-17(24)18(16(21)23)9-15(18)12-3-1-2-11(8-12)10-20/h1-8,15H,9-10,20H2,(H2,21,23)(H,22,24).
What are the key properties of 2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 327.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 174592632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).