N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide

C20H21Cl2N3O2 — CID 60524787

IUPACN-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCc1cccc(NC(=O)N2CCCC2)c1
InChIInChI=1S/C20H21Cl2N3O2/c21-17-7-4-8-18(22)16(17)12-19(26)23-13-14-5-3-6-15(11-14)24-20(27)25-9-1-2-10-25/h3-8,11H,1-2,9-10,12-13H2,(H,23,26)(H,24,27)
InChIKeyPNSWJBAVFGIQCH-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.48
Rot. Bonds5

About N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide

N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 60524787) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID60524787
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC NameN-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCc1cccc(NC(=O)N2CCCC2)c1
InChIInChI=1S/C20H21Cl2N3O2/c21-17-7-4-8-18(22)16(17)12-19(26)23-13-14-5-3-6-15(11-14)24-20(27)25-9-1-2-10-25/h3-8,11H,1-2,9-10,12-13H2,(H,23,26)(H,24,27)
InChIKeyPNSWJBAVFGIQCH-UHFFFAOYSA-N
XLogP4.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 119743695
N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 52690342
N-[3-[[4-(methylamino)butanoylamino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119743696
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119743688
N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide
CID 79151936
N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 47060202
N-[3-[[(6-chloro-2H-chromene-3-carbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 60524707
N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 52690341
2-[3-[[3-(pyrrolidine-1-carbonylamino)phenyl]methylcarbamoyl]phenoxy]acetic acid
CID 119182068
N-[3-[[[N'-methyl-N-[(3-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 111899803
N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862384

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide (CID 60524787) is N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide is O=C(Cc1c(Cl)cccc1Cl)NCc1cccc(NC(=O)N2CCCC2)c1.
What is the InChIKey of N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is PNSWJBAVFGIQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c21-17-7-4-8-18(22)16(17)12-19(26)23-13-14-5-3-6-15(11-14)24-20(27)25-9-1-2-10-25/h3-8,11H,1-2,9-10,12-13H2,(H,23,26)(H,24,27).
What are the key properties of N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 406.31 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 60524787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).