N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide

C16H14Cl2N2O3 — CID 46745605

IUPACN-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-14-4-2-3-10(5-14)16(22)19-9-15(21)20-13-7-11(17)6-12(18)8-13/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyGQQKLDNMTLLPGP-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.37
Rot. Bonds5

About N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide

N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide (PubChem CID 46745605) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide
PubChem CID46745605
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-14-4-2-3-10(5-14)16(22)19-9-15(21)20-13-7-11(17)6-12(18)8-13/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyGQQKLDNMTLLPGP-UHFFFAOYSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 26583191
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
3-methoxy-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999073
N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27167538
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46756068
3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993552
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide
CID 112997486
3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 27231758
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide
CID 111427450
3-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
CID 46756320
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 36915136
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226122

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide (CID 46745605) is N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is GQQKLDNMTLLPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-23-14-4-2-3-10(5-14)16(22)19-9-15(21)20-13-7-11(17)6-12(18)8-13/h2-8H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide?
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 353.21 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 46745605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).