4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide

C16H18ClN3O — CID 61117976

IUPAC4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)cn1C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-10(11-3-2-4-12(17)7-11)19-16(21)15-8-13(18)9-20(15)14-5-6-14/h2-4,7-10,14H,5-6,18H2,1H3,(H,19,21)
InChIKeyZKZLIMCCTINUPJ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.55
Rot. Bonds4

About 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide

4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 61117976) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide
PubChem CID61117976
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)cn1C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-10(11-3-2-4-12(17)7-11)19-16(21)15-8-13(18)9-20(15)14-5-6-14/h2-4,7-10,14H,5-6,18H2,1H3,(H,19,21)
InChIKeyZKZLIMCCTINUPJ-UHFFFAOYSA-N
XLogP3.55
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide (CID 61117976) is 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide is CC(NC(=O)c1cc(N)cn1C1CC1)c1cccc(Cl)c1.
What is the InChIKey of 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is ZKZLIMCCTINUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10(11-3-2-4-12(17)7-11)19-16(21)15-8-13(18)9-20(15)14-5-6-14/h2-4,7-10,14H,5-6,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide?
4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 61117976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).