N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide

C12H14IN3O3 — CID 133441931

IUPACN-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide
SMILESO=C(CNc1ccc(I)cc1[N+](=O)[O-])NCC1CC1
InChIInChI=1S/C12H14IN3O3/c13-9-3-4-10(11(5-9)16(18)19)14-7-12(17)15-6-8-1-2-8/h3-5,8,14H,1-2,6-7H2,(H,15,17)
InChIKeyPJGCFPFOVUFSFL-UHFFFAOYSA-N
MW375.17 g/mol
LogP2.14
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide

N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide (PubChem CID 133441931) has the molecular formula C12H14IN3O3 and a molecular weight of 375.17 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide
PubChem CID133441931
Molecular FormulaC12H14IN3O3
Molecular Weight375.17 g/mol
Exact Mass375.01
IUPAC NameN-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide
SMILESO=C(CNc1ccc(I)cc1[N+](=O)[O-])NCC1CC1
InChIInChI=1S/C12H14IN3O3/c13-9-3-4-10(11(5-9)16(18)19)14-7-12(17)15-6-8-1-2-8/h3-5,8,14H,1-2,6-7H2,(H,15,17)
InChIKeyPJGCFPFOVUFSFL-UHFFFAOYSA-N
XLogP2.14
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.17
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-iodo-2-nitroanilino)methyl]cyclohexane-1-carboxylic acid
CID 79526020
N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-nitroanilino]acetamide
CID 133441776
2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide
CID 133441782
N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide
CID 133441769
N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 133441803
N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide
CID 137262167
N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide
CID 104925778
4-iodo-2-nitro-N-(oxan-3-ylmethyl)aniline
CID 47292873
1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 115301485
2-(2,4-dinitroanilino)-N-ethylacetamide
CID 60653895
N-(cyclopropylmethyl)-4-(methylamino)-3-nitrobenzamide
CID 33451394
methyl 4-(4-iodo-2-nitroanilino)piperidine-1-carboxylate
CID 133273494

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide (CID 133441931) is N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide is O=C(CNc1ccc(I)cc1[N+](=O)[O-])NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide?
The InChIKey is PJGCFPFOVUFSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3O3/c13-9-3-4-10(11(5-9)16(18)19)14-7-12(17)15-6-8-1-2-8/h3-5,8,14H,1-2,6-7H2,(H,15,17).
What are the key properties of N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide?
N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide has a molecular weight of 375.17 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide is sourced from PubChem (CID 133441931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).