methyl 5-chloro-2-methoxy-4-(propylamino)benzoate

C12H16ClNO3 — CID 18322280

IUPACmethyl 5-chloro-2-methoxy-4-(propylamino)benzoate
SMILESCCCNc1cc(OC)c(C(=O)OC)cc1Cl
InChIInChI=1S/C12H16ClNO3/c1-4-5-14-10-7-11(16-2)8(6-9(10)13)12(15)17-3/h6-7,14H,4-5H2,1-3H3
InChIKeyUGYGZNNDSHLMPE-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.96
Rot. Bonds5

About methyl 5-chloro-2-methoxy-4-(propylamino)benzoate

methyl 5-chloro-2-methoxy-4-(propylamino)benzoate (PubChem CID 18322280) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is methyl 5-chloro-2-methoxy-4-(propylamino)benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-methoxy-4-(propylamino)benzoate
PubChem CID18322280
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Namemethyl 5-chloro-2-methoxy-4-(propylamino)benzoate
SMILESCCCNc1cc(OC)c(C(=O)OC)cc1Cl
InChIInChI=1S/C12H16ClNO3/c1-4-5-14-10-7-11(16-2)8(6-9(10)13)12(15)17-3/h6-7,14H,4-5H2,1-3H3
InChIKeyUGYGZNNDSHLMPE-UHFFFAOYSA-N
XLogP2.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4,5-dimethoxy-N-propylaniline
CID 43712569
methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19170678
methyl 5-chloro-4-[[(3S)-3-hydroxybutyl]carbamoylamino]-2-methoxybenzoate
CID 95980182
1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone
CID 67560086
tert-butyl 5-chloro-2-methoxy-4-(methylamino)benzoate
CID 118705233
methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate
CID 19170724
methyl 5-chloro-2-methoxy-4-(oxan-4-ylamino)benzoate
CID 59564312
methyl 5-bromo-4-chloro-2-methoxybenzoate
CID 26370082
5-chloro-2-methoxy-4-(pentylcarbamoylamino)benzoic acid
CID 61182726
4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide
CID 17257104
5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid
CID 43405044
2-piperidin-1-ylethyl 4-(6-aminohexylamino)-5-chloro-2-methoxybenzoate
CID 11026017

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-methoxy-4-(propylamino)benzoate?
The IUPAC name of methyl 5-chloro-2-methoxy-4-(propylamino)benzoate (CID 18322280) is methyl 5-chloro-2-methoxy-4-(propylamino)benzoate.
What is the SMILES notation for methyl 5-chloro-2-methoxy-4-(propylamino)benzoate?
The canonical SMILES for methyl 5-chloro-2-methoxy-4-(propylamino)benzoate is CCCNc1cc(OC)c(C(=O)OC)cc1Cl.
What is the InChIKey of methyl 5-chloro-2-methoxy-4-(propylamino)benzoate?
The InChIKey is UGYGZNNDSHLMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-4-5-14-10-7-11(16-2)8(6-9(10)13)12(15)17-3/h6-7,14H,4-5H2,1-3H3.
What are the key properties of methyl 5-chloro-2-methoxy-4-(propylamino)benzoate?
methyl 5-chloro-2-methoxy-4-(propylamino)benzoate has a molecular weight of 257.72 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-methoxy-4-(propylamino)benzoate is sourced from PubChem (CID 18322280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).