N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide

C12H13Cl3N2O — CID 29053888

IUPACN-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESO=C(CNc1cc(Cl)c(Cl)cc1Cl)NCC1CC1
InChIInChI=1S/C12H13Cl3N2O/c13-8-3-10(15)11(4-9(8)14)16-6-12(18)17-5-7-1-2-7/h3-4,7,16H,1-2,5-6H2,(H,17,18)
InChIKeyUNKSRFXWZWZQSQ-UHFFFAOYSA-N
MW307.61 g/mol
LogP3.58
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide

N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide (PubChem CID 29053888) has the molecular formula C12H13Cl3N2O and a molecular weight of 307.61 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide
PubChem CID29053888
Molecular FormulaC12H13Cl3N2O
Molecular Weight307.61 g/mol
Exact Mass306.01
IUPAC NameN-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESO=C(CNc1cc(Cl)c(Cl)cc1Cl)NCC1CC1
InChIInChI=1S/C12H13Cl3N2O/c13-8-3-10(15)11(4-9(8)14)16-6-12(18)17-5-7-1-2-7/h3-4,7,16H,1-2,5-6H2,(H,17,18)
InChIKeyUNKSRFXWZWZQSQ-UHFFFAOYSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.61
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide
CID 28568189
N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide
CID 28576189
2-(4-bromo-2,3-dichloroanilino)-N-(cyclopropylmethyl)acetamide
CID 113429963
N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide
CID 62810074
N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide
CID 28992064
N-(cyclopropylmethyl)-2-(2-phenylanilino)acetamide
CID 28569421
2-[(2,4,5-trichloroanilino)methyl]prop-2-enoic acid
CID 103232496
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide
CID 60791450
N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide
CID 115564301
N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 28577768
2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide
CID 43351652
2-(4-chloro-2-fluoroanilino)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]acetamide
CID 97228233

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide (CID 29053888) is N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide is O=C(CNc1cc(Cl)c(Cl)cc1Cl)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide?
The InChIKey is UNKSRFXWZWZQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3N2O/c13-8-3-10(15)11(4-9(8)14)16-6-12(18)17-5-7-1-2-7/h3-4,7,16H,1-2,5-6H2,(H,17,18).
What are the key properties of N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide?
N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide has a molecular weight of 307.61 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide is sourced from PubChem (CID 29053888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).