N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide

C19H20Cl2N2O2 — CID 55749266

IUPACN-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-3-12(2)23-18(24)14-6-4-5-13(9-14)11-22-19(25)16-8-7-15(20)10-17(16)21/h4-10,12H,3,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyBWUCYHJESYFEDW-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.45
Rot. Bonds6

About N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide

N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide (PubChem CID 55749266) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide
PubChem CID55749266
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-3-12(2)23-18(24)14-6-4-5-13(9-14)11-22-19(25)16-8-7-15(20)10-17(16)21/h4-10,12H,3,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyBWUCYHJESYFEDW-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide
CID 55868767
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55798341
2-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-fluorobenzamide
CID 47043729
3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-iodo-3-methylbenzamide
CID 55749335
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47043735

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide (CID 55749266) is N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide is CCC(C)NC(=O)c1cccc(CNC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide?
The InChIKey is BWUCYHJESYFEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-3-12(2)23-18(24)14-6-4-5-13(9-14)11-22-19(25)16-8-7-15(20)10-17(16)21/h4-10,12H,3,11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide?
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide has a molecular weight of 379.29 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 55749266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).