4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide

C18H17Cl3N2O3 — CID 95667083

IUPAC4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide
SMILESC[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C18H17Cl3N2O3/c1-10(26-15-6-4-5-13(20)16(15)21)17(24)22-14-9-11(7-8-12(14)19)18(25)23(2)3/h4-10H,1-3H3,(H,22,24)/t10-/m1/s1
InChIKeyIDBAXQTVRPTRAX-SNVBAGLBSA-N
MW415.70 g/mol
LogP4.75
Rot. Bonds5

About 4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide

4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide (PubChem CID 95667083) has the molecular formula C18H17Cl3N2O3 and a molecular weight of 415.70 g/mol. Its IUPAC name is 4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide
PubChem CID95667083
Molecular FormulaC18H17Cl3N2O3
Molecular Weight415.70 g/mol
Exact Mass414.03
IUPAC Name4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide
SMILESC[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C18H17Cl3N2O3/c1-10(26-15-6-4-5-13(20)16(15)21)17(24)22-14-9-11(7-8-12(14)19)18(25)23(2)3/h4-10H,1-3H3,(H,22,24)/t10-/m1/s1
InChIKeyIDBAXQTVRPTRAX-SNVBAGLBSA-N
XLogP4.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.70
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 55778208
(2R)-2-(2,3-dichlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7787703
3-[(2-bromo-3-methylbutanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 43696142
(2S)-2-(2,3-dichlorophenoxy)-N-(2-methoxyphenyl)propanamide
CID 7372354
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 79011608
2-(2,3-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633814
methyl 4-chloro-3-[[(2S)-2-(2-methylphenoxy)propanoyl]amino]benzoate
CID 38018063
N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide
CID 15917903
4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 38957066
2-(2,3-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 42990420
N-(2,5-dichlorophenyl)-2-(2-methylphenoxy)propanamide
CID 3331016
3-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 104683767

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide (CID 95667083) is 4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide is C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is IDBAXQTVRPTRAX-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H17Cl3N2O3/c1-10(26-15-6-4-5-13(20)16(15)21)17(24)22-14-9-11(7-8-12(14)19)18(25)23(2)3/h4-10H,1-3H3,(H,22,24)/t10-/m1/s1.
What are the key properties of 4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide?
4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 415.70 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 95667083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).