2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide

C23H14ClNO3 — CID 7946519

IUPAC2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(C=C2C(=O)c3ccccc3C2=O)c1)c1ccccc1Cl
InChIInChI=1S/C23H14ClNO3/c24-20-11-4-3-10-18(20)23(28)25-15-7-5-6-14(12-15)13-19-21(26)16-8-1-2-9-17(16)22(19)27/h1-13H,(H,25,28)
InChIKeyMYTVWSVQDYWSIC-UHFFFAOYSA-N
MW387.82 g/mol
LogP5.05
Rot. Bonds3

About 2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide

2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide (PubChem CID 7946519) has the molecular formula C23H14ClNO3 and a molecular weight of 387.82 g/mol. Its IUPAC name is 2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide
PubChem CID7946519
Molecular FormulaC23H14ClNO3
Molecular Weight387.82 g/mol
Exact Mass387.07
IUPAC Name2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(C=C2C(=O)c3ccccc3C2=O)c1)c1ccccc1Cl
InChIInChI=1S/C23H14ClNO3/c24-20-11-4-3-10-18(20)23(28)25-15-7-5-6-14(12-15)13-19-21(26)16-8-1-2-9-17(16)22(19)27/h1-13H,(H,25,28)
InChIKeyMYTVWSVQDYWSIC-UHFFFAOYSA-N
XLogP5.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.82
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

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2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide
CID 30884467
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
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CID 167818667
2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide
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2-chloro-N-[3-[(E)-3-(3,4-dimethylphenyl)-3-oxoprop-1-enyl]phenyl]benzamide
CID 7947513
N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026189
2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide
CID 17424844

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide (CID 7946519) is 2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide is O=C(Nc1cccc(C=C2C(=O)c3ccccc3C2=O)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide?
The InChIKey is MYTVWSVQDYWSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClNO3/c24-20-11-4-3-10-18(20)23(28)25-15-7-5-6-14(12-15)13-19-21(26)16-8-1-2-9-17(16)22(19)27/h1-13H,(H,25,28).
What are the key properties of 2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide?
2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide has a molecular weight of 387.82 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide is sourced from PubChem (CID 7946519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).