N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide

C15H15ClN2O2 — CID 100829813

IUPACN-(4-amino-2-chlorophenyl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(N)cc2Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-2-20-12-5-3-4-10(8-12)15(19)18-14-7-6-11(17)9-13(14)16/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyZJJQCFPVWHKUFX-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.57
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide

N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide (PubChem CID 100829813) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-ethoxybenzamide
PubChem CID100829813
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-(4-amino-2-chlorophenyl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(N)cc2Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-2-20-12-5-3-4-10(8-12)15(19)18-14-7-6-11(17)9-13(14)16/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyZJJQCFPVWHKUFX-UHFFFAOYSA-N
XLogP3.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.57
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

3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 790473
N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide
CID 54852547
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
N-(2-amino-4-methylphenyl)-3-ethoxybenzamide
CID 56773265
N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide
CID 64789293
N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide
CID 54852788
3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 23733721
N-(4-amino-2-chlorophenyl)-4-propoxybenzamide
CID 100829816
3-ethoxy-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 4957662
N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide
CID 1323778
N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
CID 16773286
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide (CID 100829813) is N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2ccc(N)cc2Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide?
The InChIKey is ZJJQCFPVWHKUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-20-12-5-3-4-10(8-12)15(19)18-14-7-6-11(17)9-13(14)16/h3-9H,2,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide?
N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide has a molecular weight of 290.75 g/mol, XLogP of 3.57, 4 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)-3-ethoxybenzamide is sourced from PubChem (CID 100829813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).