2-[(2,3-dichloroanilino)methyl]benzamide

C14H12Cl2N2O — CID 28774931

IUPAC2-[(2,3-dichloroanilino)methyl]benzamide
SMILESNC(=O)c1ccccc1CNc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N2O/c15-11-6-3-7-12(13(11)16)18-8-9-4-1-2-5-10(9)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyJUNDWZVZVLWVOS-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.70
Rot. Bonds4

About 2-[(2,3-dichloroanilino)methyl]benzamide

2-[(2,3-dichloroanilino)methyl]benzamide (PubChem CID 28774931) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-[(2,3-dichloroanilino)methyl]benzamide.

Molecular Properties

Compound Name2-[(2,3-dichloroanilino)methyl]benzamide
PubChem CID28774931
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name2-[(2,3-dichloroanilino)methyl]benzamide
SMILESNC(=O)c1ccccc1CNc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N2O/c15-11-6-3-7-12(13(11)16)18-8-9-4-1-2-5-10(9)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyJUNDWZVZVLWVOS-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2,3-dichloroanilino)methyl]phenyl]acetic acid
CID 115461544
2-[(4-chloroanilino)methyl]benzamide
CID 28580780
3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide
CID 115904226
2-[2-[(2-chloroanilino)methyl]phenyl]acetamide
CID 21235296
2-[2-[(2-chlorophenyl)methylamino]phenyl]acetamide
CID 43738427
2-[(2-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026856
4-chloro-3-[(2,3-dichlorophenyl)methylamino]benzamide
CID 43679408
2-[(3-chloro-2-hydroxyphenyl)methylamino]benzoic acid
CID 112606376
3-(2,3-dichloroanilino)propanamide
CID 43152512
2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
CID 81313237
2-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815579
2,3-dichlorobenzamide;hydron
CID 69226563

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichloroanilino)methyl]benzamide?
The IUPAC name of 2-[(2,3-dichloroanilino)methyl]benzamide (CID 28774931) is 2-[(2,3-dichloroanilino)methyl]benzamide.
What is the SMILES notation for 2-[(2,3-dichloroanilino)methyl]benzamide?
The canonical SMILES for 2-[(2,3-dichloroanilino)methyl]benzamide is NC(=O)c1ccccc1CNc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichloroanilino)methyl]benzamide?
The InChIKey is JUNDWZVZVLWVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c15-11-6-3-7-12(13(11)16)18-8-9-4-1-2-5-10(9)14(17)19/h1-7,18H,8H2,(H2,17,19).
What are the key properties of 2-[(2,3-dichloroanilino)methyl]benzamide?
2-[(2,3-dichloroanilino)methyl]benzamide has a molecular weight of 295.17 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichloroanilino)methyl]benzamide is sourced from PubChem (CID 28774931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).