N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide

C14H20ClN3O — CID 16778868

IUPACN-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
SMILESNc1ccc(NC(=O)CCCN2CCCC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O/c15-12-10-11(16)5-6-13(12)17-14(19)4-3-9-18-7-1-2-8-18/h5-6,10H,1-4,7-9,16H2,(H,17,19)
InChIKeyNRQRYCLDDPECRI-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.74
Rot. Bonds5

About N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide

N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide (PubChem CID 16778868) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
PubChem CID16778868
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
SMILESNc1ccc(NC(=O)CCCN2CCCC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O/c15-12-10-11(16)5-6-13(12)17-14(19)4-3-9-18-7-1-2-8-18/h5-6,10H,1-4,7-9,16H2,(H,17,19)
InChIKeyNRQRYCLDDPECRI-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-(4-amino-2-chlorophenyl)-3-(3-oxo-1,4-diazepan-1-yl)propanamide
CID 65361182
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
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N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide
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N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
CID 16779496
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide
CID 162243839
N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
CID 62116153
N-(4-amino-2-chlorophenyl)-4-(4-bromopyrazol-1-yl)butanamide
CID 61035006
N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide (CID 16778868) is N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide is Nc1ccc(NC(=O)CCCN2CCCC2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide?
The InChIKey is NRQRYCLDDPECRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-12-10-11(16)5-6-13(12)17-14(19)4-3-9-18-7-1-2-8-18/h5-6,10H,1-4,7-9,16H2,(H,17,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide?
N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide has a molecular weight of 281.79 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 16778868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).