4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide

C16H18ClN3O — CID 61118290

IUPAC4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C16H18ClN3O/c1-19(9-11-2-4-12(17)5-3-11)16(21)15-8-13(18)10-20(15)14-6-7-14/h2-5,8,10,14H,6-7,9,18H2,1H3
InChIKeyALCZGRRTHWGPCY-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.33
Rot. Bonds4

About 4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide

4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide (PubChem CID 61118290) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
PubChem CID61118290
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C16H18ClN3O/c1-19(9-11-2-4-12(17)5-3-11)16(21)15-8-13(18)10-20(15)14-6-7-14/h2-5,8,10,14H,6-7,9,18H2,1H3
InChIKeyALCZGRRTHWGPCY-UHFFFAOYSA-N
XLogP3.33
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide (CID 61118290) is 4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The InChIKey is ALCZGRRTHWGPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-19(9-11-2-4-12(17)5-3-11)16(21)15-8-13(18)10-20(15)14-6-7-14/h2-5,8,10,14H,6-7,9,18H2,1H3.
What are the key properties of 4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 61118290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).