4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide

C19H20Cl2N2O4 — CID 95690732

IUPAC4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)ccc1OCC(N)=O
InChIInChI=1S/C19H20Cl2N2O4/c1-11(7-12-3-5-14(20)9-15(12)21)23-19(25)13-4-6-16(17(8-13)26-2)27-10-18(22)24/h3-6,8-9,11H,7,10H2,1-2H3,(H2,22,24)(H,23,25)/t11-/m0/s1
InChIKeyQPTNKPXDOQEJBF-NSHDSACASA-N
MW411.29 g/mol
LogP3.23
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide (PubChem CID 95690732) has the molecular formula C19H20Cl2N2O4 and a molecular weight of 411.29 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide
PubChem CID95690732
Molecular FormulaC19H20Cl2N2O4
Molecular Weight411.29 g/mol
Exact Mass410.08
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)ccc1OCC(N)=O
InChIInChI=1S/C19H20Cl2N2O4/c1-11(7-12-3-5-14(20)9-15(12)21)23-19(25)13-4-6-16(17(8-13)26-2)27-10-18(22)24/h3-6,8-9,11H,7,10H2,1-2H3,(H2,22,24)(H,23,25)/t11-/m0/s1
InChIKeyQPTNKPXDOQEJBF-NSHDSACASA-N
XLogP3.23
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide
CID 55414528
(2S)-2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119237902
4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 134013102
4-(2-amino-2-oxoethoxy)-N-(3-chlorophenyl)-3-methoxybenzamide
CID 9072187
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120507137
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide
CID 112501675
N-[1-[2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 3498479
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,4-dimethoxybenzamide
CID 62093873
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide
CID 7964266

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide (CID 95690732) is 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide is COc1cc(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide?
The InChIKey is QPTNKPXDOQEJBF-NSHDSACASA-N. The full InChI is InChI=1S/C19H20Cl2N2O4/c1-11(7-12-3-5-14(20)9-15(12)21)23-19(25)13-4-6-16(17(8-13)26-2)27-10-18(22)24/h3-6,8-9,11H,7,10H2,1-2H3,(H2,22,24)(H,23,25)/t11-/m0/s1.
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide has a molecular weight of 411.29 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 95690732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).