N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide

C11H11ClN4O5 — CID 62923761

IUPACN,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide
SMILESNC(=O)CN(CC(N)=O)C(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H11ClN4O5/c12-8-2-1-6(16(20)21)3-7(8)11(19)15(4-9(13)17)5-10(14)18/h1-3H,4-5H2,(H2,13,17)(H2,14,18)
InChIKeyGLCDFIXFDUDMSJ-UHFFFAOYSA-N
MW314.69 g/mol
LogP-0.34
Rot. Bonds6

About N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide

N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide (PubChem CID 62923761) has the molecular formula C11H11ClN4O5 and a molecular weight of 314.69 g/mol. Its IUPAC name is N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide.

Molecular Properties

Compound NameN,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide
PubChem CID62923761
Molecular FormulaC11H11ClN4O5
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC NameN,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide
SMILESNC(=O)CN(CC(N)=O)C(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H11ClN4O5/c12-8-2-1-6(16(20)21)3-7(8)11(19)15(4-9(13)17)5-10(14)18/h1-3H,4-5H2,(H2,13,17)(H2,14,18)
InChIKeyGLCDFIXFDUDMSJ-UHFFFAOYSA-N
XLogP-0.34
TPSA149.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[carboxymethyl-(2-chloro-4-nitrobenzoyl)amino]acetic acid
CID 63651342
N,N-bis(2-amino-2-oxoethyl)-5-chloro-2-nitrobenzamide
CID 62923763
2-chloro-N-(2-hydroxyethyl)-5-nitro-N-propylbenzamide
CID 60747371
N,N-bis(2-amino-2-oxoethyl)-3-nitrobenzamide
CID 20505193
2-chloro-N-ethyl-N-methyl-5-nitrobenzamide
CID 43243488
2-[butan-2-yl-(2-chloro-5-nitrobenzoyl)amino]acetic acid
CID 60828418
2-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729
N,N-di(butan-2-yl)-2-chloro-5-nitrobenzamide
CID 4526092
2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 2213152
2-[(2-amino-2-oxoethyl)-(4-nitrobenzoyl)amino]acetic acid
CID 107433891
2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide
CID 50893899
CID 161054765
CID 161054765

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide?
The IUPAC name of N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide (CID 62923761) is N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide.
What is the SMILES notation for N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide?
The canonical SMILES for N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide is NC(=O)CN(CC(N)=O)C(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide?
The InChIKey is GLCDFIXFDUDMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O5/c12-8-2-1-6(16(20)21)3-7(8)11(19)15(4-9(13)17)5-10(14)18/h1-3H,4-5H2,(H2,13,17)(H2,14,18).
What are the key properties of N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide?
N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide has a molecular weight of 314.69 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide is sourced from PubChem (CID 62923761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).