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

C17H24Cl2N2O — CID 11660186

IUPACN-[(2,4-dichlorophenyl)methyl]-3,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]butanamide
SMILESCC(C)(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C17H24Cl2N2O/c1-17(2,3)9-16(22)21(14-6-7-20-10-14)11-12-4-5-13(18)8-15(12)19/h4-5,8,14,20H,6-7,9-11H2,1-3H3/t14-/m0/s1
InChIKeyDINOQTNPFRDVRK-AWEZNQCLSA-N
MW343.30 g/mol
LogP4.12
Rot. Bonds4

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

N-[(2,4-dichlorophenyl)methyl]-3,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]butanamide (PubChem CID 11660186) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]butanamide
PubChem CID11660186
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]butanamide
SMILESCC(C)(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C17H24Cl2N2O/c1-17(2,3)9-16(22)21(14-6-7-20-10-14)11-12-4-5-13(18)8-15(12)19/h4-5,8,14,20H,6-7,9-11H2,1-3H3/t14-/m0/s1
InChIKeyDINOQTNPFRDVRK-AWEZNQCLSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.12
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]-3,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]butanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]butanamide (CID 11660186) is N-[(2,4-dichlorophenyl)methyl]-3,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]butanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]butanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]butanamide is CC(C)(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]butanamide?
The InChIKey is DINOQTNPFRDVRK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24Cl2N2O/c1-17(2,3)9-16(22)21(14-6-7-20-10-14)11-12-4-5-13(18)8-15(12)19/h4-5,8,14,20H,6-7,9-11H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]butanamide?
N-[(2,4-dichlorophenyl)methyl]-3,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]butanamide has a molecular weight of 343.30 g/mol, XLogP of 4.12, 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]-3,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]butanamide is sourced from PubChem (CID 11660186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).