N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide

C18H18Cl2N2O2 — CID 17198935

IUPACN-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-3-11(2)21-17(23)12-5-4-6-16(9-12)22-18(24)13-7-14(19)10-15(20)8-13/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMWQATVXWCGSDCW-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.77
Rot. Bonds5

About N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide

N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide (PubChem CID 17198935) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
PubChem CID17198935
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-3-11(2)21-17(23)12-5-4-6-16(9-12)22-18(24)13-7-14(19)10-15(20)8-13/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMWQATVXWCGSDCW-UHFFFAOYSA-N
XLogP4.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
N-[4-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17201359
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044154
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 42427639
methyl 3-[[4-(butan-2-ylcarbamoyl)benzoyl]amino]benzoate
CID 109044159
1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044156
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396
3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
CID 109102422
N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54833658
3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109051525
N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide
CID 54819366

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide?
The IUPAC name of N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide (CID 17198935) is N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide.
What is the SMILES notation for N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide?
The canonical SMILES for N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide is CCC(C)NC(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide?
The InChIKey is MWQATVXWCGSDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-3-11(2)21-17(23)12-5-4-6-16(9-12)22-18(24)13-7-14(19)10-15(20)8-13/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide?
N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide has a molecular weight of 365.26 g/mol, XLogP of 4.77, 5 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]-3,5-dichlorobenzamide is sourced from PubChem (CID 17198935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).