N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H13ClN2O3 — CID 43719468

IUPACN-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESO=[N+]([O-])c1cc(NC2CCOc3ccccc32)ccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-12-6-5-10(9-14(12)18(19)20)17-13-7-8-21-15-4-2-1-3-11(13)15/h1-6,9,13,17H,7-8H2
InChIKeyRJZKIHDQNOIYHU-UHFFFAOYSA-N
MW304.73 g/mol
LogP4.18
Rot. Bonds3

About N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine

N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43719468) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43719468
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESO=[N+]([O-])c1cc(NC2CCOc3ccccc32)ccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-12-6-5-10(9-14(12)18(19)20)17-13-7-8-21-15-4-2-1-3-11(13)15/h1-6,9,13,17H,7-8H2
InChIKeyRJZKIHDQNOIYHU-UHFFFAOYSA-N
XLogP4.18
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine 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

N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 51203429
N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 82863704
1-[4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-nitrophenyl]ethanone
CID 40677129
6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 133295731
N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43194572
N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 103936660
N-(4-chloro-3-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43719499
2-amino-5-(3,4-dihydro-2H-chromen-4-ylamino)benzoic acid
CID 62365403
N-(3-chloro-4-nitrophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 82862705
6-fluoro-N-(3-methylsulfonyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 133401687
6-bromo-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43785841
6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 133295812

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 43719468) is N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine is O=[N+]([O-])c1cc(NC2CCOc3ccccc32)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RJZKIHDQNOIYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-12-6-5-10(9-14(12)18(19)20)17-13-7-8-21-15-4-2-1-3-11(13)15/h1-6,9,13,17H,7-8H2.
What are the key properties of N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine?
N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 304.73 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43719468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).