2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide

C13H17IN2O — CID 54924927

IUPAC2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CNCC1CC1
InChIInChI=1S/C13H17IN2O/c1-9-6-11(14)4-5-12(9)16-13(17)8-15-7-10-2-3-10/h4-6,10,15H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyDZBDRORQVSFPJP-UHFFFAOYSA-N
MW344.20 g/mol
LogP2.54
Rot. Bonds5

About 2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide

2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 54924927) has the molecular formula C13H17IN2O and a molecular weight of 344.20 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID54924927
Molecular FormulaC13H17IN2O
Molecular Weight344.20 g/mol
Exact Mass344.04
IUPAC Name2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CNCC1CC1
InChIInChI=1S/C13H17IN2O/c1-9-6-11(14)4-5-12(9)16-13(17)8-15-7-10-2-3-10/h4-6,10,15H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyDZBDRORQVSFPJP-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide
CID 114259911
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
CID 60868336
2-[1-[2-(4-iodo-2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617120
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119869911
2-(cyclopropylmethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671879
methyl 4-(4-iodo-2-methylanilino)-4-oxobutanoate
CID 683994
1-[[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81168189
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-iodo-2-methylphenyl)acetamide
CID 8899909
methyl 1-[2-(4-iodo-2-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731432

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide (CID 54924927) is 2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide is Cc1cc(I)ccc1NC(=O)CNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is DZBDRORQVSFPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O/c1-9-6-11(14)4-5-12(9)16-13(17)8-15-7-10-2-3-10/h4-6,10,15H,2-3,7-8H2,1H3,(H,16,17).
What are the key properties of 2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide?
2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 344.20 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 54924927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).