2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide

C12H14ClN3O3 — CID 54413210

IUPAC2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide
SMILESN#Cc1cc(Cl)cc(C(=O)N(CCO)CCO)c1N
InChIInChI=1S/C12H14ClN3O3/c13-9-5-8(7-14)11(15)10(6-9)12(19)16(1-3-17)2-4-18/h5-6,17-18H,1-4,15H2
InChIKeyVVPFLLGAGSUIPB-UHFFFAOYSA-N
MW283.71 g/mol
LogP0.22
Rot. Bonds5

About 2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide

2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide (PubChem CID 54413210) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide
PubChem CID54413210
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC Name2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide
SMILESN#Cc1cc(Cl)cc(C(=O)N(CCO)CCO)c1N
InChIInChI=1S/C12H14ClN3O3/c13-9-5-8(7-14)11(15)10(6-9)12(19)16(1-3-17)2-4-18/h5-6,17-18H,1-4,15H2
InChIKeyVVPFLLGAGSUIPB-UHFFFAOYSA-N
XLogP0.22
TPSA110.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-chloro-3-cyanobenzoic acid
CID 72545064
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588
2-amino-5-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 61114600
3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide
CID 112575679
2-chloro-N,N-bis(2-hydroxyethyl)-4-nitrobenzamide
CID 60653170
2,3,4-trichloro-5-[chloro(2-hydroxyethyl)amino]benzonitrile
CID 88835181
3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide
CID 94810814
5-chloro-3-cyano-2-hydroxybenzoic acid
CID 130981649
2,5-diamino-3-(2-chloroacetyl)benzonitrile
CID 171012540
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 82812492
5-chloro-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 62236604

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide?
The IUPAC name of 2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide (CID 54413210) is 2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide?
The canonical SMILES for 2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide is N#Cc1cc(Cl)cc(C(=O)N(CCO)CCO)c1N.
What is the InChIKey of 2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide?
The InChIKey is VVPFLLGAGSUIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-9-5-8(7-14)11(15)10(6-9)12(19)16(1-3-17)2-4-18/h5-6,17-18H,1-4,15H2.
What are the key properties of 2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide?
2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide has a molecular weight of 283.71 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-3-cyano-N,N-bis(2-hydroxyethyl)benzamide is sourced from PubChem (CID 54413210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).