N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide

C26H26ClN3O3 — CID 52690342

IUPACN-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C26H26ClN3O3/c27-23-12-3-1-9-20(23)18-33-24-13-4-2-11-22(24)25(31)28-17-19-8-7-10-21(16-19)29-26(32)30-14-5-6-15-30/h1-4,7-13,16H,5-6,14-15,17-18H2,(H,28,31)(H,29,32)
InChIKeyCPZDNCASBQRBFC-UHFFFAOYSA-N
MW463.97 g/mol
LogP5.48
Rot. Bonds7

About N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide

N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 52690342) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID52690342
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC NameN-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C26H26ClN3O3/c27-23-12-3-1-9-20(23)18-33-24-13-4-2-11-22(24)25(31)28-17-19-8-7-10-21(16-19)29-26(32)30-14-5-6-15-30/h1-4,7-13,16H,5-6,14-15,17-18H2,(H,28,31)(H,29,32)
InChIKeyCPZDNCASBQRBFC-UHFFFAOYSA-N
XLogP5.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.97
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 47060191
N-[(3-carbamoylphenyl)methyl]-2-[(2-chlorophenyl)methoxy]benzamide
CID 32636545
N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 60524787
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 119743695
2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide
CID 55797280
2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526385
2-[3-[[3-(pyrrolidine-1-carbonylamino)phenyl]methylcarbamoyl]phenoxy]acetic acid
CID 119182068
2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
CID 46463772
N-[3-[[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 51965397
N-[3-[[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 110942874
2-chloro-4-[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 60532900
N-[3-[[(6-chloro-2H-chromene-3-carbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 60524707

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide (CID 52690342) is N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide is O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is CPZDNCASBQRBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c27-23-12-3-1-9-20(23)18-33-24-13-4-2-11-22(24)25(31)28-17-19-8-7-10-21(16-19)29-26(32)30-14-5-6-15-30/h1-4,7-13,16H,5-6,14-15,17-18H2,(H,28,31)(H,29,32).
What are the key properties of N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 52690342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).