N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide

C20H22FN3O2 — CID 42702472

IUPACN-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide
SMILESO=C(NCCCN(C(=O)Nc1ccccc1F)c1ccccc1)C1CC1
InChIInChI=1S/C20H22FN3O2/c21-17-9-4-5-10-18(17)23-20(26)24(16-7-2-1-3-8-16)14-6-13-22-19(25)15-11-12-15/h1-5,7-10,15H,6,11-14H2,(H,22,25)(H,23,26)
InChIKeyADYIBQOGTGVWQC-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.78
Rot. Bonds7

About N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide

N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide (PubChem CID 42702472) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide
PubChem CID42702472
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide
SMILESO=C(NCCCN(C(=O)Nc1ccccc1F)c1ccccc1)C1CC1
InChIInChI=1S/C20H22FN3O2/c21-17-9-4-5-10-18(17)23-20(26)24(16-7-2-1-3-8-16)14-6-13-22-19(25)15-11-12-15/h1-5,7-10,15H,6,11-14H2,(H,22,25)(H,23,26)
InChIKeyADYIBQOGTGVWQC-UHFFFAOYSA-N
XLogP3.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149531
1-N-[2-(dimethylamino)ethyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109147107
N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide
CID 42705684
3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 42705740
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
CID 42707248
4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705306
2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide
CID 42705644
N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide
CID 42707093
2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide
CID 42706776
1-[3-[(4-ethoxyphenyl)carbamoylamino]propyl]-3-(2-fluorophenyl)-1-(4-fluorophenyl)urea
CID 42705745
2-fluoro-N-[3-[N-[(2-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]benzamide
CID 42707024
N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide
CID 42726504

Frequently Asked Questions

What is the IUPAC name of N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide (CID 42702472) is N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide is O=C(NCCCN(C(=O)Nc1ccccc1F)c1ccccc1)C1CC1.
What is the InChIKey of N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide?
The InChIKey is ADYIBQOGTGVWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-17-9-4-5-10-18(17)23-20(26)24(16-7-2-1-3-8-16)14-6-13-22-19(25)15-11-12-15/h1-5,7-10,15H,6,11-14H2,(H,22,25)(H,23,26).
What are the key properties of N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide?
N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide is sourced from PubChem (CID 42702472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).