N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide

C18H18Cl2N2O — CID 44578042

IUPACN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1ccccc1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C18H18Cl2N2O/c19-15-7-6-14(17(20)10-15)12-22(16-8-9-21-11-16)18(23)13-4-2-1-3-5-13/h1-7,10,16,21H,8-9,11-12H2/t16-/m0/s1
InChIKeyFXQFRAJLWAPPQJ-INIZCTEOSA-N
MW349.26 g/mol
LogP4.00
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide

N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 44578042) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID44578042
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1ccccc1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C18H18Cl2N2O/c19-15-7-6-14(17(20)10-15)12-22(16-8-9-21-11-16)18(23)13-4-2-1-3-5-13/h1-7,10,16,21H,8-9,11-12H2/t16-/m0/s1
InChIKeyFXQFRAJLWAPPQJ-INIZCTEOSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 44578042) is N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(c1ccccc1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is FXQFRAJLWAPPQJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c19-15-7-6-14(17(20)10-15)12-22(16-8-9-21-11-16)18(23)13-4-2-1-3-5-13/h1-7,10,16,21H,8-9,11-12H2/t16-/m0/s1.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide?
N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 349.26 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 44578042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).