N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide

C11H10BrClN2O — CID 112722691

IUPACN-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C11H10BrClN2O/c1-2-5-14-7-11(16)15-10-4-3-8(12)6-9(10)13/h1,3-4,6,14H,5,7H2,(H,15,16)
InChIKeyZPVUJVHBMNDLIC-UHFFFAOYSA-N
MW301.57 g/mol
LogP2.26
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide

N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 112722691) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID112722691
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C11H10BrClN2O/c1-2-5-14-7-11(16)15-10-4-3-8(12)6-9(10)13/h1,3-4,6,14H,5,7H2,(H,15,16)
InChIKeyZPVUJVHBMNDLIC-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908681
3-chloro-4-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 79271626
N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908576
N-[5-bromo-2-(dimethylamino)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286745
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-(prop-2-ynylamino)acetamide
CID 103193297
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
2-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]amino]propanoic acid
CID 43466879
4-bromo-2-chloro-N-prop-2-ynylaniline
CID 62140498
N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
CID 43347407
N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide
CID 78780727
N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 112722706

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide (CID 112722691) is N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is ZPVUJVHBMNDLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-2-5-14-7-11(16)15-10-4-3-8(12)6-9(10)13/h1,3-4,6,14H,5,7H2,(H,15,16).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide?
N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 301.57 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 112722691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).