methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate

C17H16ClNO4 — CID 38239113

IUPACmethyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate
SMILESCOCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1
InChIInChI=1S/C17H16ClNO4/c1-22-10-11-3-5-12(6-4-11)16(20)19-13-7-8-15(18)14(9-13)17(21)23-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyCHCQFEGOPBXMFY-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.53
Rot. Bonds5

About methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate

methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate (PubChem CID 38239113) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate
PubChem CID38239113
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Namemethyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate
SMILESCOCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1
InChIInChI=1S/C17H16ClNO4/c1-22-10-11-3-5-12(6-4-11)16(20)19-13-7-8-15(18)14(9-13)17(21)23-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyCHCQFEGOPBXMFY-UHFFFAOYSA-N
XLogP3.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide
CID 71969037
methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92672400
N-(4-iodophenyl)-4-(methoxymethyl)benzamide
CID 8571988
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)benzamide
CID 42466710
4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9153906
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
methyl 2-chloro-5-(3-chloropropanoylamino)benzoate
CID 43696506
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate
CID 1312112
4-(methoxymethyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38196484
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(methoxymethyl)benzamide
CID 41266000

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate (CID 38239113) is methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate is COCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate?
The InChIKey is CHCQFEGOPBXMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-22-10-11-3-5-12(6-4-11)16(20)19-13-7-8-15(18)14(9-13)17(21)23-2/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate?
methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate has a molecular weight of 333.77 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 38239113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).