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

C30H25ClN2O — CID 42763540

IUPACN-benzyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(c1cccc2ccccc12)N(Cc1ccccc1)Cc1cccn1Cc1ccccc1Cl
InChIInChI=1S/C30H25ClN2O/c31-29-18-7-5-13-25(29)21-32-19-9-15-26(32)22-33(20-23-10-2-1-3-11-23)30(34)28-17-8-14-24-12-4-6-16-27(24)28/h1-19H,20-22H2
InChIKeyPOPQVSBVUUMTGI-UHFFFAOYSA-N
MW465.00 g/mol
LogP7.19
Rot. Bonds7

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

N-benzyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide (PubChem CID 42763540) has the molecular formula C30H25ClN2O and a molecular weight of 465.00 g/mol. Its IUPAC name is N-benzyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide
PubChem CID42763540
Molecular FormulaC30H25ClN2O
Molecular Weight465.00 g/mol
Exact Mass464.17
IUPAC NameN-benzyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(c1cccc2ccccc12)N(Cc1ccccc1)Cc1cccn1Cc1ccccc1Cl
InChIInChI=1S/C30H25ClN2O/c31-29-18-7-5-13-25(29)21-32-19-9-15-26(32)22-33(20-23-10-2-1-3-11-23)30(34)28-17-8-14-24-12-4-6-16-27(24)28/h1-19H,20-22H2
InChIKeyPOPQVSBVUUMTGI-UHFFFAOYSA-N
XLogP7.19
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.00
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-bromo-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 4237212
N-benzyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylbenzamide
CID 5222779
N-benzyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxybenzamide
CID 5039504
N-benzyl-2-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 4297414
2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 4612906
2-bromo-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylbenzamide
CID 4288246
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42764260
N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3570217
N-benzyl-4-fluoro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 5041537
N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-propan-2-ylbenzamide
CID 5004292
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxy-N-(3-methoxypropyl)benzamide
CID 3275693
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide
CID 42665058

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-benzyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide (CID 42763540) is N-benzyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-benzyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-benzyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide is O=C(c1cccc2ccccc12)N(Cc1ccccc1)Cc1cccn1Cc1ccccc1Cl.
What is the InChIKey of N-benzyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is POPQVSBVUUMTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN2O/c31-29-18-7-5-13-25(29)21-32-19-9-15-26(32)22-33(20-23-10-2-1-3-11-23)30(34)28-17-8-14-24-12-4-6-16-27(24)28/h1-19H,20-22H2.
What are the key properties of N-benzyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide?
N-benzyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 465.00 g/mol, XLogP of 7.19, 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-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 42763540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).