3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

C20H20Cl2N2O4 — CID 2941545

IUPAC3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H20Cl2N2O4/c1-27-14-6-4-12(5-7-14)19(25)24-18-16(9-13(21)10-17(18)22)20(26)23-11-15-3-2-8-28-15/h4-7,9-10,15H,2-3,8,11H2,1H3,(H,23,26)(H,24,25)
InChIKeyVJECSTJRKIJFKJ-UHFFFAOYSA-N
MW423.30 g/mol
LogP4.16
Rot. Bonds6

About 3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2941545) has the molecular formula C20H20Cl2N2O4 and a molecular weight of 423.30 g/mol. Its IUPAC name is 3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2941545
Molecular FormulaC20H20Cl2N2O4
Molecular Weight423.30 g/mol
Exact Mass422.08
IUPAC Name3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H20Cl2N2O4/c1-27-14-6-4-12(5-7-14)19(25)24-18-16(9-13(21)10-17(18)22)20(26)23-11-15-3-2-8-28-15/h4-7,9-10,15H,2-3,8,11H2,1H3,(H,23,26)(H,24,25)
InChIKeyVJECSTJRKIJFKJ-UHFFFAOYSA-N
XLogP4.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 991444
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide
CID 806255
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
6-chloro-2-(4-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184892
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
3,5-dichloro-4-methoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17361831
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660
3-[(4-methoxybenzoyl)carbamothioylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42580174
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 17297293
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (CID 2941545) is 3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is VJECSTJRKIJFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4/c1-27-14-6-4-12(5-7-14)19(25)24-18-16(9-13(21)10-17(18)22)20(26)23-11-15-3-2-8-28-15/h4-7,9-10,15H,2-3,8,11H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 423.30 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2941545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).