4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide

C19H16ClN3O2 — CID 124927835

IUPAC4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(Oc3ccc(N)cc3Cl)c2)cc1
InChIInChI=1S/C19H16ClN3O2/c20-17-10-14(22)8-9-18(17)25-16-3-1-2-15(11-16)23-19(24)12-4-6-13(21)7-5-12/h1-11H,21-22H2,(H,23,24)
InChIKeyUDTXHDWXOJRIIU-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.55
Rot. Bonds4

About 4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide

4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide (PubChem CID 124927835) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide
PubChem CID124927835
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(Oc3ccc(N)cc3Cl)c2)cc1
InChIInChI=1S/C19H16ClN3O2/c20-17-10-14(22)8-9-18(17)25-16-3-1-2-15(11-16)23-19(24)12-4-6-13(21)7-5-12/h1-11H,21-22H2,(H,23,24)
InChIKeyUDTXHDWXOJRIIU-UHFFFAOYSA-N
XLogP4.55
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(4-amino-2-chlorophenoxy)phenyl]carbamate
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3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
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4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide
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4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262452
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide
CID 26189302
3-amino-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 16785828
3-amino-4-chloro-N-[3-(difluoromethoxy)phenyl]benzamide
CID 43706007
4-amino-N-(4-amino-2,6-dichlorophenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide?
The IUPAC name of 4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide (CID 124927835) is 4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide?
The canonical SMILES for 4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide is Nc1ccc(C(=O)Nc2cccc(Oc3ccc(N)cc3Cl)c2)cc1.
What is the InChIKey of 4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide?
The InChIKey is UDTXHDWXOJRIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-17-10-14(22)8-9-18(17)25-16-3-1-2-15(11-16)23-19(24)12-4-6-13(21)7-5-12/h1-11H,21-22H2,(H,23,24).
What are the key properties of 4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide?
4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide has a molecular weight of 353.81 g/mol, XLogP of 4.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(4-amino-2-chlorophenoxy)phenyl]benzamide is sourced from PubChem (CID 124927835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).