butyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid

C14H19Cl2N3O3 — CID 90715068

IUPACbutyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid
SMILESCCCCN(C(=O)O)C(CNC(N)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N3O3/c1-2-3-7-19(14(21)22)11(8-18-13(17)20)9-5-4-6-10(15)12(9)16/h4-6,11H,2-3,7-8H2,1H3,(H,21,22)(H3,17,18,20)
InChIKeyGKEQHHVMJNLNON-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.48
Rot. Bonds7

About butyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid

butyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid (PubChem CID 90715068) has the molecular formula C14H19Cl2N3O3 and a molecular weight of 348.23 g/mol. Its IUPAC name is butyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid.

Molecular Properties

Compound Namebutyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid
PubChem CID90715068
Molecular FormulaC14H19Cl2N3O3
Molecular Weight348.23 g/mol
Exact Mass347.08
IUPAC Namebutyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid
SMILESCCCCN(C(=O)O)C(CNC(N)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N3O3/c1-2-3-7-19(14(21)22)11(8-18-13(17)20)9-5-4-6-10(15)12(9)16/h4-6,11H,2-3,7-8H2,1H3,(H,21,22)(H3,17,18,20)
InChIKeyGKEQHHVMJNLNON-UHFFFAOYSA-N
XLogP3.48
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-1-[(2,3-dichlorophenyl)methyl]urea
CID 118625499
tert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid
CID 66671631
N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide
CID 141089706
ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate
CID 64542042
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538
4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 31363572
2-(2,3-dichlorophenyl)-2-propoxyacetic acid
CID 83224713
2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide
CID 54891761
1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea
CID 15589189
7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride
CID 119832233
3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 30827387
3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 103778315

Frequently Asked Questions

What is the IUPAC name of butyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid?
The IUPAC name of butyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid (CID 90715068) is butyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid.
What is the SMILES notation for butyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid?
The canonical SMILES for butyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid is CCCCN(C(=O)O)C(CNC(N)=O)c1cccc(Cl)c1Cl.
What is the InChIKey of butyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid?
The InChIKey is GKEQHHVMJNLNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O3/c1-2-3-7-19(14(21)22)11(8-18-13(17)20)9-5-4-6-10(15)12(9)16/h4-6,11H,2-3,7-8H2,1H3,(H,21,22)(H3,17,18,20).
What are the key properties of butyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid?
butyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid has a molecular weight of 348.23 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid is sourced from PubChem (CID 90715068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).