N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide

C14H14ClN3O3 — CID 106683133

IUPACN-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide
SMILESNC(=O)CN(Cc1cccc(N)c1)C(=O)c1ccoc1Cl
InChIInChI=1S/C14H14ClN3O3/c15-13-11(4-5-21-13)14(20)18(8-12(17)19)7-9-2-1-3-10(16)6-9/h1-6H,7-8,16H2,(H2,17,19)
InChIKeyMBWNRUKLMQWTDW-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.64
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide

N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide (PubChem CID 106683133) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide
PubChem CID106683133
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide
SMILESNC(=O)CN(Cc1cccc(N)c1)C(=O)c1ccoc1Cl
InChIInChI=1S/C14H14ClN3O3/c15-13-11(4-5-21-13)14(20)18(8-12(17)19)7-9-2-1-3-10(16)6-9/h1-6H,7-8,16H2,(H2,17,19)
InChIKeyMBWNRUKLMQWTDW-UHFFFAOYSA-N
XLogP1.64
TPSA102.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686196
2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide
CID 60874955
N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide
CID 106500076
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
2-[(3-aminophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 21460485
3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 144888017
4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 62921855
3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide
CID 107174783
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-3-ethoxypropanamide
CID 62590077
2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide
CID 43461206

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide (CID 106683133) is N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide is NC(=O)CN(Cc1cccc(N)c1)C(=O)c1ccoc1Cl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide?
The InChIKey is MBWNRUKLMQWTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c15-13-11(4-5-21-13)14(20)18(8-12(17)19)7-9-2-1-3-10(16)6-9/h1-6H,7-8,16H2,(H2,17,19).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide?
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide has a molecular weight of 307.74 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106683133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).