2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide

C20H24ClN3O3 — CID 119717697

IUPAC2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)Cc2ccc(N)cc2)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-3-24(4-2)20(26)13-27-18-10-9-16(12-17(18)21)23-19(25)11-14-5-7-15(22)8-6-14/h5-10,12H,3-4,11,13,22H2,1-2H3,(H,23,25)
InChIKeyXFYGBCSIKMVVCC-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.35
Rot. Bonds8

About 2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide

2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide (PubChem CID 119717697) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
PubChem CID119717697
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)Cc2ccc(N)cc2)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-3-24(4-2)20(26)13-27-18-10-9-16(12-17(18)21)23-19(25)11-14-5-7-15(22)8-6-14/h5-10,12H,3-4,11,13,22H2,1-2H3,(H,23,25)
InChIKeyXFYGBCSIKMVVCC-UHFFFAOYSA-N
XLogP3.35
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide
CID 120588524
4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide
CID 119712519
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119717715
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide
CID 39171394
3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride
CID 119717718
5-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 34354427
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide
CID 55611108
2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide
CID 39171702
2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738458
2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180625
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide
CID 39171469

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide (CID 119717697) is 2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide is CCN(CC)C(=O)COc1ccc(NC(=O)Cc2ccc(N)cc2)cc1Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is XFYGBCSIKMVVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-3-24(4-2)20(26)13-27-18-10-9-16(12-17(18)21)23-19(25)11-14-5-7-15(22)8-6-14/h5-10,12H,3-4,11,13,22H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide?
2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 389.88 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 119717697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).