1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide

C19H20N2O2 — CID 146357979

IUPAC1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=CN1CCCC1C(=O)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c22-14-21-12-4-7-18(21)19(23)20-13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,14,18H,4,7,12-13H2,(H,20,23)
InChIKeyRNNSNAGWKVVRTF-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.59
Rot. Bonds5

About 1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide

1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 146357979) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID146357979
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=CN1CCCC1C(=O)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c22-14-21-12-4-7-18(21)19(23)20-13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,14,18H,4,7,12-13H2,(H,20,23)
InChIKeyRNNSNAGWKVVRTF-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146358334
but-1-ene;(2S)-1-formyl-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 153347205
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
(2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide
CID 75529701
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 90115301
2-[[3-[4-[(cyclopropanecarbonylamino)methyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 140519304
1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
CID 4669339
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380

Frequently Asked Questions

What is the IUPAC name of 1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide (CID 146357979) is 1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide is O=CN1CCCC1C(=O)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is RNNSNAGWKVVRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-14-21-12-4-7-18(21)19(23)20-13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,14,18H,4,7,12-13H2,(H,20,23).
What are the key properties of 1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 146357979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).