N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide

C17H17Cl2N3O — CID 91676429

IUPACN-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide
SMILESNc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1N1CCCC1
InChIInChI=1S/C17H17Cl2N3O/c18-11-3-5-13(14(19)9-11)17(23)21-12-4-6-16(15(20)10-12)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,20H2,(H,21,23)
InChIKeyUSVVAHJCCRZGJO-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.43
Rot. Bonds3

About N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide

N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide (PubChem CID 91676429) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide
PubChem CID91676429
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC NameN-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide
SMILESNc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1N1CCCC1
InChIInChI=1S/C17H17Cl2N3O/c18-11-3-5-13(14(19)9-11)17(23)21-12-4-6-16(15(20)10-12)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,20H2,(H,21,23)
InChIKeyUSVVAHJCCRZGJO-UHFFFAOYSA-N
XLogP4.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide
CID 91684113
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide
CID 91676128
2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
CID 52701753
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide
CID 3338645
5-[(2,4-dichlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 5109469
2,4-dichloro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1397318
5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 1007459
N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91676435
N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide
CID 91676092
2,4-dichloro-N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1343028
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
2,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686691

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide?
The IUPAC name of N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide (CID 91676429) is N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide is Nc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1N1CCCC1.
What is the InChIKey of N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide?
The InChIKey is USVVAHJCCRZGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-11-3-5-13(14(19)9-11)17(23)21-12-4-6-16(15(20)10-12)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,20H2,(H,21,23).
What are the key properties of N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide?
N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide has a molecular weight of 350.25 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide is sourced from PubChem (CID 91676429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).