N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide

C19H20Cl2N2O3 — CID 1293450

IUPACN-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O3/c1-11(2)18(24)22-14-5-7-15(8-6-14)23-19(25)12(3)26-17-9-4-13(20)10-16(17)21/h4-12H,1-3H3,(H,22,24)(H,23,25)/t12-/m0/s1
InChIKeyCOQVOHAELNLDTB-LBPRGKRZSA-N
MW395.29 g/mol
LogP4.99
Rot. Bonds6

About N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide

N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide (PubChem CID 1293450) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
PubChem CID1293450
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC NameN-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O3/c1-11(2)18(24)22-14-5-7-15(8-6-14)23-19(25)12(3)26-17-9-4-13(20)10-16(17)21/h4-12H,1-3H3,(H,22,24)(H,23,25)/t12-/m0/s1
InChIKeyCOQVOHAELNLDTB-LBPRGKRZSA-N
XLogP4.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 42561530
(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 40652778
methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
CID 1010111
2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42989366
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
2-chloro-4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoic acid
CID 28677019
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
(2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide
CID 38112522

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide (CID 1293450) is N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is COQVOHAELNLDTB-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-11(2)18(24)22-14-5-7-15(8-6-14)23-19(25)12(3)26-17-9-4-13(20)10-16(17)21/h4-12H,1-3H3,(H,22,24)(H,23,25)/t12-/m0/s1.
What are the key properties of N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide?
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 395.29 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 1293450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).