N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride

C16H19ClFN3O — CID 119616534

IUPACN-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1c[nH]cc1-c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H18FN3O.ClH/c17-12-5-3-10(4-6-12)13-8-19-9-14(13)16(21)20-15(7-18)11-1-2-11;/h3-6,8-9,11,15,19H,1-2,7,18H2,(H,20,21);1H
InChIKeyAWDLQSLTCXORIK-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.71
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 119616534) has the molecular formula C16H19ClFN3O and a molecular weight of 323.80 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID119616534
Molecular FormulaC16H19ClFN3O
Molecular Weight323.80 g/mol
Exact Mass323.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1c[nH]cc1-c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H18FN3O.ClH/c17-12-5-3-10(4-6-12)13-8-19-9-14(13)16(21)20-15(7-18)11-1-2-11;/h3-6,8-9,11,15,19H,1-2,7,18H2,(H,20,21);1H
InChIKeyAWDLQSLTCXORIK-UHFFFAOYSA-N
XLogP2.71
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride (CID 119616534) is N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1c[nH]cc1-c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is AWDLQSLTCXORIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O.ClH/c17-12-5-3-10(4-6-12)13-8-19-9-14(13)16(21)20-15(7-18)11-1-2-11;/h3-6,8-9,11,15,19H,1-2,7,18H2,(H,20,21);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 323.80 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119616534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).