N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide

C18H20ClN3O — CID 109008455

IUPACN-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESO=C(CNc1ccc(N2CCCC2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O/c19-14-4-3-5-16(12-14)21-18(23)13-20-15-6-8-17(9-7-15)22-10-1-2-11-22/h3-9,12,20H,1-2,10-11,13H2,(H,21,23)
InChIKeyVQNFSJGTRKSXPY-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.99
Rot. Bonds5

About N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide

N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide (PubChem CID 109008455) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
PubChem CID109008455
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESO=C(CNc1ccc(N2CCCC2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O/c19-14-4-3-5-16(12-14)21-18(23)13-20-15-6-8-17(9-7-15)22-10-1-2-11-22/h3-9,12,20H,1-2,10-11,13H2,(H,21,23)
InChIKeyVQNFSJGTRKSXPY-UHFFFAOYSA-N
XLogP3.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109009928
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109010505
N-(4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 37475260
methyl 3-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]benzoate
CID 51110852
N-(3-chlorophenyl)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 115745385
2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 60603019
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
N'-(3-chlorophenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891562
N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53368887
N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010337
N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 55023239

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide (CID 109008455) is N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide is O=C(CNc1ccc(N2CCCC2)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The InChIKey is VQNFSJGTRKSXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-14-4-3-5-16(12-14)21-18(23)13-20-15-6-8-17(9-7-15)22-10-1-2-11-22/h3-9,12,20H,1-2,10-11,13H2,(H,21,23).
What are the key properties of N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide has a molecular weight of 329.83 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide is sourced from PubChem (CID 109008455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).