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

C15H20Cl2N2O — CID 11558708

IUPACN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide
SMILESCCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-3-15(20)19(13-6-7-18-9-13)10-11-4-5-12(16)8-14(11)17/h4-5,8,13,18H,2-3,6-7,9-10H2,1H3/t13-/m0/s1
InChIKeyBSMJJWYXCCOYNP-ZDUSSCGKSA-N
MW315.24 g/mol
LogP3.48
Rot. Bonds5

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

N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide (PubChem CID 11558708) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide
PubChem CID11558708
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide
SMILESCCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-3-15(20)19(13-6-7-18-9-13)10-11-4-5-12(16)8-14(11)17/h4-5,8,13,18H,2-3,6-7,9-10H2,1H3/t13-/m0/s1
InChIKeyBSMJJWYXCCOYNP-ZDUSSCGKSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.48
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]butanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide (CID 11558708) is N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide is CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide?
The InChIKey is BSMJJWYXCCOYNP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-2-3-15(20)19(13-6-7-18-9-13)10-11-4-5-12(16)8-14(11)17/h4-5,8,13,18H,2-3,6-7,9-10H2,1H3/t13-/m0/s1.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide?
N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide has a molecular weight of 315.24 g/mol, XLogP of 3.48, 5 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]butanamide is sourced from PubChem (CID 11558708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).