2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate

C14H17ClNO5- — CID 7994307

IUPAC2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)[O-])cc(Cl)c1OCC(C)C
InChIInChI=1S/C14H18ClNO5/c1-8(2)7-21-13-10(15)4-9(5-11(13)20-3)14(19)16-6-12(17)18/h4-5,8H,6-7H2,1-3H3,(H,16,19)(H,17,18)/p-1
InChIKeyFBTHLTNIPNEFHY-UHFFFAOYSA-M
MW314.75 g/mol
LogP0.86
Rot. Bonds7

About 2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate

2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate (PubChem CID 7994307) has the molecular formula C14H17ClNO5- and a molecular weight of 314.75 g/mol. Its IUPAC name is 2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate.

Molecular Properties

Compound Name2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
PubChem CID7994307
Molecular FormulaC14H17ClNO5-
Molecular Weight314.75 g/mol
Exact Mass314.08
IUPAC Name2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)[O-])cc(Cl)c1OCC(C)C
InChIInChI=1S/C14H18ClNO5/c1-8(2)7-21-13-10(15)4-9(5-11(13)20-3)14(19)16-6-12(17)18/h4-5,8H,6-7H2,1-3H3,(H,16,19)(H,17,18)/p-1
InChIKeyFBTHLTNIPNEFHY-UHFFFAOYSA-M
XLogP0.86
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
CID 41276636
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 120653783
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484
3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 51153085
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide
CID 134058516
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide
CID 78767621
2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
CID 119218308
3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 26799191

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate?
The IUPAC name of 2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate (CID 7994307) is 2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate.
What is the SMILES notation for 2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate?
The canonical SMILES for 2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate is COc1cc(C(=O)NCC(=O)[O-])cc(Cl)c1OCC(C)C.
What is the InChIKey of 2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate?
The InChIKey is FBTHLTNIPNEFHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18ClNO5/c1-8(2)7-21-13-10(15)4-9(5-11(13)20-3)14(19)16-6-12(17)18/h4-5,8H,6-7H2,1-3H3,(H,16,19)(H,17,18)/p-1.
What are the key properties of 2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate?
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate has a molecular weight of 314.75 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate is sourced from PubChem (CID 7994307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).