N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide

C16H17ClN2O2 — CID 62228733

IUPACN-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N(C)c1cccc(N)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(21-15-8-3-5-12(17)9-15)16(20)19(2)14-7-4-6-13(18)10-14/h3-11H,18H2,1-2H3
InChIKeyLWWMUOQHCNXFKI-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.35
Rot. Bonds4

About N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide

N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide (PubChem CID 62228733) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide
PubChem CID62228733
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N(C)c1cccc(N)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(21-15-8-3-5-12(17)9-15)16(20)19(2)14-7-4-6-13(18)10-14/h3-11H,18H2,1-2H3
InChIKeyLWWMUOQHCNXFKI-UHFFFAOYSA-N
XLogP3.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3-chlorophenoxy)ethyl]aniline
CID 61263691
2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide
CID 43916072
2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
CID 134058549
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 63391336
(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide
CID 897565
N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 43081960
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(4-chlorophenyl) 2-(3-aminophenoxy)propanoate
CID 133164899
2-(3-aminophenoxy)propanamide
CID 43115971
(E,4R)-4-(3-chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one
CID 1489413

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide?
The IUPAC name of N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide (CID 62228733) is N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide is CC(Oc1cccc(Cl)c1)C(=O)N(C)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide?
The InChIKey is LWWMUOQHCNXFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(21-15-8-3-5-12(17)9-15)16(20)19(2)14-7-4-6-13(18)10-14/h3-11H,18H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide?
N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide has a molecular weight of 304.78 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide is sourced from PubChem (CID 62228733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).