4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide

C23H19ClN4O3 — CID 154832712

IUPAC4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide
SMILESN#Cc1cccc(COc2ccc(NC(=O)CNc3ccc(C(N)=O)cc3)cc2Cl)c1
InChIInChI=1S/C23H19ClN4O3/c24-20-11-19(8-9-21(20)31-14-16-3-1-2-15(10-16)12-25)28-22(29)13-27-18-6-4-17(5-7-18)23(26)30/h1-11,27H,13-14H2,(H2,26,30)(H,28,29)
InChIKeyVMEDYDQBHCYRLX-UHFFFAOYSA-N
MW434.88 g/mol
LogP3.94
Rot. Bonds8

About 4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide

4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide (PubChem CID 154832712) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide
PubChem CID154832712
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide
SMILESN#Cc1cccc(COc2ccc(NC(=O)CNc3ccc(C(N)=O)cc3)cc2Cl)c1
InChIInChI=1S/C23H19ClN4O3/c24-20-11-19(8-9-21(20)31-14-16-3-1-2-15(10-16)12-25)28-22(29)13-27-18-6-4-17(5-7-18)23(26)30/h1-11,27H,13-14H2,(H2,26,30)(H,28,29)
InChIKeyVMEDYDQBHCYRLX-UHFFFAOYSA-N
XLogP3.94
TPSA117.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[(3-cyanophenyl)methoxy]benzoic acid
CID 60711872
N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide
CID 52703472
N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
CID 26437475
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-cyanoanilino)acetamide
CID 109011133
2-anilino-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 60927630
4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide
CID 8977230
5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide
CID 133294464
N-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 17493434
N-(3-chloro-4-methoxyphenyl)-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112812610
3-[(3-cyanophenyl)methoxy]-4-methoxybenzoic acid
CID 24695620
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069791
4-[(3-bromophenyl)methoxy]-3-chlorobenzamide
CID 91683338

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide (CID 154832712) is 4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide is N#Cc1cccc(COc2ccc(NC(=O)CNc3ccc(C(N)=O)cc3)cc2Cl)c1.
What is the InChIKey of 4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is VMEDYDQBHCYRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c24-20-11-19(8-9-21(20)31-14-16-3-1-2-15(10-16)12-25)28-22(29)13-27-18-6-4-17(5-7-18)23(26)30/h1-11,27H,13-14H2,(H2,26,30)(H,28,29).
What are the key properties of 4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide?
4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 434.88 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 154832712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).