4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide

C14H16FN3O — CID 43642339

IUPAC4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCc1ccccc1F
InChIInChI=1S/C14H16FN3O/c1-2-18-9-11(16)7-13(18)14(19)17-8-10-5-3-4-6-12(10)15/h3-7,9H,2,8,16H2,1H3,(H,17,19)
InChIKeyXWXNYHUJDIWUDC-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.16
Rot. Bonds4

About 4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide

4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide (PubChem CID 43642339) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide
PubChem CID43642339
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCc1ccccc1F
InChIInChI=1S/C14H16FN3O/c1-2-18-9-11(16)7-13(18)14(19)17-8-10-5-3-4-6-12(10)15/h3-7,9H,2,8,16H2,1H3,(H,17,19)
InChIKeyXWXNYHUJDIWUDC-UHFFFAOYSA-N
XLogP2.16
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 63793724
4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61401810
4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 43642341
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 62223456
4-amino-N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 60779952
4-amino-N-[(3-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61400973
4-amino-1-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425287
4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43643237
4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643225
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614959
4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide
CID 43643619
4-amino-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 93254371

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide (CID 43642339) is 4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCc1ccccc1F.
What is the InChIKey of 4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is XWXNYHUJDIWUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-18-9-11(16)7-13(18)14(19)17-8-10-5-3-4-6-12(10)15/h3-7,9H,2,8,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide?
4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 43642339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).