N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide

C30H25FN2O — CID 3541822

IUPACN-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(c1ccc2ccccc2c1)N(Cc1ccccc1)Cc1cccn1Cc1cccc(F)c1
InChIInChI=1S/C30H25FN2O/c31-28-13-6-10-24(18-28)21-32-17-7-14-29(32)22-33(20-23-8-2-1-3-9-23)30(34)27-16-15-25-11-4-5-12-26(25)19-27/h1-19H,20-22H2
InChIKeyGZHLIKXBUMKYAX-UHFFFAOYSA-N
MW448.54 g/mol
LogP6.67
Rot. Bonds7

About N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide

N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide (PubChem CID 3541822) has the molecular formula C30H25FN2O and a molecular weight of 448.54 g/mol. Its IUPAC name is N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide
PubChem CID3541822
Molecular FormulaC30H25FN2O
Molecular Weight448.54 g/mol
Exact Mass448.20
IUPAC NameN-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(c1ccc2ccccc2c1)N(Cc1ccccc1)Cc1cccn1Cc1cccc(F)c1
InChIInChI=1S/C30H25FN2O/c31-28-13-6-10-24(18-28)21-32-17-7-14-29(32)22-33(20-23-8-2-1-3-9-23)30(34)27-16-15-25-11-4-5-12-26(25)19-27/h1-19H,20-22H2
InChIKeyGZHLIKXBUMKYAX-UHFFFAOYSA-N
XLogP6.67
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide
CID 3546088
N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-3-fluorobenzamide
CID 4242364
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylnaphthalene-2-carboxamide
CID 3639052
N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxybenzamide
CID 3915746
4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide
CID 3618198
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide
CID 5010882
N-benzyl-2-chloro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]propanamide
CID 3322916
N-benzyl-3-methoxy-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3975484
N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylnaphthalene-2-carboxamide
CID 5236102
N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 3400775
N-benzyl-4-fluoro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 5041537
N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]naphthalene-2-carboxamide
CID 7398373

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide (CID 3541822) is N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide is O=C(c1ccc2ccccc2c1)N(Cc1ccccc1)Cc1cccn1Cc1cccc(F)c1.
What is the InChIKey of N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide?
The InChIKey is GZHLIKXBUMKYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN2O/c31-28-13-6-10-24(18-28)21-32-17-7-14-29(32)22-33(20-23-8-2-1-3-9-23)30(34)27-16-15-25-11-4-5-12-26(25)19-27/h1-19H,20-22H2.
What are the key properties of N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide?
N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 3541822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).