N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide

C16H24ClN3O — CID 106614400

IUPACN-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCC(C)N(CC(=O)Nc1cccc(Cl)c1)CC1CCCN1
InChIInChI=1S/C16H24ClN3O/c1-12(2)20(10-15-7-4-8-18-15)11-16(21)19-14-6-3-5-13(17)9-14/h3,5-6,9,12,15,18H,4,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeySWBOPNJEADFDLL-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.74
Rot. Bonds6

About N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide

N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide (PubChem CID 106614400) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
PubChem CID106614400
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCC(C)N(CC(=O)Nc1cccc(Cl)c1)CC1CCCN1
InChIInChI=1S/C16H24ClN3O/c1-12(2)20(10-15-7-4-8-18-15)11-16(21)19-14-6-3-5-13(17)9-14/h3,5-6,9,12,15,18H,4,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeySWBOPNJEADFDLL-UHFFFAOYSA-N
XLogP2.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614350
3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629815
N-(3-chlorophenyl)-3-piperidin-2-ylpropanamide
CID 62212060
N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614250
2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609550
N-(3-chlorophenyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]acetamide
CID 46602371
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
CID 61366011
N-(3-iodophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635710
N-(3-methyl-1,2-oxazol-5-yl)-2-[piperidin-2-ylmethyl(propan-2-yl)amino]acetamide
CID 106632002
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 106617904
3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613236
N-cyclohexyl-2-[piperidin-2-ylmethyl(propan-2-yl)amino]acetamide
CID 106631855

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide (CID 106614400) is N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide is CC(C)N(CC(=O)Nc1cccc(Cl)c1)CC1CCCN1.
What is the InChIKey of N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide?
The InChIKey is SWBOPNJEADFDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12(2)20(10-15-7-4-8-18-15)11-16(21)19-14-6-3-5-13(17)9-14/h3,5-6,9,12,15,18H,4,7-8,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide?
N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide has a molecular weight of 309.84 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106614400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).