N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide

C18H16ClN3O3 — CID 51298232

IUPACN-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
SMILESCN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H16ClN3O3/c1-21(11-13-8-14(22(24)25)6-7-16(13)19)18(23)9-12-10-20-17-5-3-2-4-15(12)17/h2-8,10,20H,9,11H2,1H3
InChIKeyBPSAPQAIAPUZRC-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.93
Rot. Bonds5

About N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide

N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide (PubChem CID 51298232) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
PubChem CID51298232
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
SMILESCN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H16ClN3O3/c1-21(11-13-8-14(22(24)25)6-7-16(13)19)18(23)9-12-10-20-17-5-3-2-4-15(12)17/h2-8,10,20H,9,11H2,1H3
InChIKeyBPSAPQAIAPUZRC-UHFFFAOYSA-N
XLogP3.93
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide 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

2-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 7535659
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962
N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 26622391
N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide
CID 4517188
N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
CID 111430478
N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 75433748
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-2-propan-2-ylquinoline-4-carboxamide
CID 18132158
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 43010406
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43216548
N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
CID 18882
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 17439958

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
The IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide (CID 51298232) is N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
The canonical SMILES for N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide is CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
The InChIKey is BPSAPQAIAPUZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-21(11-13-8-14(22(24)25)6-7-16(13)19)18(23)9-12-10-20-17-5-3-2-4-15(12)17/h2-8,10,20H,9,11H2,1H3.
What are the key properties of N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide has a molecular weight of 357.80 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide is sourced from PubChem (CID 51298232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).