N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide

C12H15Cl2N3O2 — CID 76925185

IUPACN-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)Nc1cccc(Cl)c1Cl)C(N)=NO
InChIInChI=1S/C12H15Cl2N3O2/c1-2-4-7(11(15)17-19)12(18)16-9-6-3-5-8(13)10(9)14/h3,5-7,19H,2,4H2,1H3,(H2,15,17)(H,16,18)
InChIKeyDTLCMBSYCZMYKT-UHFFFAOYSA-N
MW304.18 g/mol
LogP3.09
Rot. Bonds5

About N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide

N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide (PubChem CID 76925185) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
PubChem CID76925185
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC NameN-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)Nc1cccc(Cl)c1Cl)C(N)=NO
InChIInChI=1S/C12H15Cl2N3O2/c1-2-4-7(11(15)17-19)12(18)16-9-6-3-5-8(13)10(9)14/h3,5-7,19H,2,4H2,1H3,(H2,15,17)(H,16,18)
InChIKeyDTLCMBSYCZMYKT-UHFFFAOYSA-N
XLogP3.09
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76924737
N-[2-(dimethylamino)phenyl]-2-[(Z)-N'-hydroxycarbamimidoyl]pentanamide
CID 106760589
N-(3-chlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926784
N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76924711
2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide
CID 65225946
3-amino-N-(2,3-dichlorophenyl)-2-methylpropanamide
CID 62669970
N-(2,3-dimethylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925032
N-[1-(3-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926302
3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926908
2-(N'-hydroxycarbamimidoyl)-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 76924719
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
N-(4-bromo-2-chlorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76924610

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide (CID 76925185) is N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide is CCCC(C(=O)Nc1cccc(Cl)c1Cl)C(N)=NO.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The InChIKey is DTLCMBSYCZMYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c1-2-4-7(11(15)17-19)12(18)16-9-6-3-5-8(13)10(9)14/h3,5-7,19H,2,4H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide has a molecular weight of 304.18 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide is sourced from PubChem (CID 76925185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).