N-(4-amino-2-chlorophenyl)-4-propoxybenzamide

C16H17ClN2O2 — CID 100829816

IUPACN-(4-amino-2-chlorophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-2-9-21-13-6-3-11(4-7-13)16(20)19-15-8-5-12(18)10-14(15)17/h3-8,10H,2,9,18H2,1H3,(H,19,20)
InChIKeyFVHBBOKOUWRXOC-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.96
Rot. Bonds5

About N-(4-amino-2-chlorophenyl)-4-propoxybenzamide

N-(4-amino-2-chlorophenyl)-4-propoxybenzamide (PubChem CID 100829816) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-4-propoxybenzamide
PubChem CID100829816
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(4-amino-2-chlorophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-2-9-21-13-6-3-11(4-7-13)16(20)19-15-8-5-12(18)10-14(15)17/h3-8,10H,2,9,18H2,1H3,(H,19,20)
InChIKeyFVHBBOKOUWRXOC-UHFFFAOYSA-N
XLogP3.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.96
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

ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate
CID 92680844
N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
CID 8863043
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide
CID 91676031
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 4936163
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide
CID 4938660
2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 62329507
N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
CID 54852579
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide
CID 100829813
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-4-propoxybenzamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-4-propoxybenzamide (CID 100829816) is N-(4-amino-2-chlorophenyl)-4-propoxybenzamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-4-propoxybenzamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-4-propoxybenzamide?
The InChIKey is FVHBBOKOUWRXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-9-21-13-6-3-11(4-7-13)16(20)19-15-8-5-12(18)10-14(15)17/h3-8,10H,2,9,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-4-propoxybenzamide?
N-(4-amino-2-chlorophenyl)-4-propoxybenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.96, 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-propoxybenzamide is sourced from PubChem (CID 100829816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).