N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide

C17H20ClN3O — CID 91676407

IUPACN-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C17H20ClN3O/c1-3-21(4-2)16-10-9-14(11-15(16)19)20-17(22)12-5-7-13(18)8-6-12/h5-11H,3-4,19H2,1-2H3,(H,20,22)
InChIKeyAGMQSHSBZXRVOI-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.02
Rot. Bonds5

About N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide

N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide (PubChem CID 91676407) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide
PubChem CID91676407
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C17H20ClN3O/c1-3-21(4-2)16-10-9-14(11-15(16)19)20-17(22)12-5-7-13(18)8-6-12/h5-11H,3-4,19H2,1-2H3,(H,20,22)
InChIKeyAGMQSHSBZXRVOI-UHFFFAOYSA-N
XLogP4.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.02
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-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide
CID 91676475
N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide
CID 91676464
5-[(4-chlorobenzoyl)amino]-2-(diethylamino)benzoic acid;2,2,2-trifluoroacetic acid
CID 146060792
N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide
CID 91676108
4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide
CID 143193165
N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide
CID 82874897
4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314
4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide
CID 42883227
N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide
CID 103218699
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide?
The IUPAC name of N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide (CID 91676407) is N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide?
The canonical SMILES for N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide is CCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1N.
What is the InChIKey of N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide?
The InChIKey is AGMQSHSBZXRVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-3-21(4-2)16-10-9-14(11-15(16)19)20-17(22)12-5-7-13(18)8-6-12/h5-11H,3-4,19H2,1-2H3,(H,20,22).
What are the key properties of N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide?
N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide has a molecular weight of 317.82 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide is sourced from PubChem (CID 91676407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).