methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate

C11H12Cl2N2O3 — CID 3810392

IUPACmethyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O3/c1-18-10(16)4-5-14-11(17)15-7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3,(H2,14,15,17)
InChIKeyMEAYPRBEEWDIDG-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.68
Rot. Bonds4

About methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate

methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate (PubChem CID 3810392) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate
PubChem CID3810392
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Namemethyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O3/c1-18-10(16)4-5-14-11(17)15-7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3,(H2,14,15,17)
InChIKeyMEAYPRBEEWDIDG-UHFFFAOYSA-N
XLogP2.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 61301290
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea
CID 55102675
methyl 3-[(4-bromophenyl)carbamoylamino]propanoate
CID 47361141
5-[(3,4-dichlorophenyl)carbamoylamino]pentanoic acid
CID 4083960
2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 61301287
1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 5202458
1-(3-chloro-4-methylphenyl)-3-(3-oxobutyl)urea
CID 108894961
methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate
CID 61341694
1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea
CID 27396154

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate?
The IUPAC name of methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate (CID 3810392) is methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate?
The canonical SMILES for methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate is COC(=O)CCNC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate?
The InChIKey is MEAYPRBEEWDIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c1-18-10(16)4-5-14-11(17)15-7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3,(H2,14,15,17).
What are the key properties of methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate?
methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate has a molecular weight of 291.13 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate is sourced from PubChem (CID 3810392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).