N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide

C20H19FN2O — CID 112816610

IUPACN-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccc(F)cc2)n1C
InChIInChI=1S/C20H19FN2O/c1-14-8-13-18(23(14)2)20(24)22-19(15-6-4-3-5-7-15)16-9-11-17(21)12-10-16/h3-13,19H,1-2H3,(H,22,24)
InChIKeyOOIKCQUGJLNMOT-UHFFFAOYSA-N
MW322.38 g/mol
LogP3.99
Rot. Bonds4

About N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide

N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 112816610) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide
PubChem CID112816610
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC NameN-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccc(F)cc2)n1C
InChIInChI=1S/C20H19FN2O/c1-14-8-13-18(23(14)2)20(24)22-19(15-6-4-3-5-7-15)16-9-11-17(21)12-10-16/h3-13,19H,1-2H3,(H,22,24)
InChIKeyOOIKCQUGJLNMOT-UHFFFAOYSA-N
XLogP3.99
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dimethyl-N-[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]pyrrole-2-carboxamide
CID 95334382
N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94044299
2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid
CID 99784106
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170
N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide
CID 55594145
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695
N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide
CID 42930410
N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134035164
N-[(4-fluorophenyl)-phenylmethyl]-2-methoxyacetamide
CID 47161833
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
5-chloro-1-[(4-fluorophenyl)methyl]-N-[(4-fluorophenyl)-phenylmethyl]-3-methylpyrazole-4-carboxamide
CID 55594299

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide (CID 112816610) is N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(C(=O)NC(c2ccccc2)c2ccc(F)cc2)n1C.
What is the InChIKey of N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is OOIKCQUGJLNMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-14-8-13-18(23(14)2)20(24)22-19(15-6-4-3-5-7-15)16-9-11-17(21)12-10-16/h3-13,19H,1-2H3,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide?
N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 112816610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).