2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide

C12H17ClN4O2 — CID 54862720

IUPAC2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CNC(=O)CN)cc1Cl
InChIInChI=1S/C12H17ClN4O2/c1-17(2)10-4-3-8(5-9(10)13)16-12(19)7-15-11(18)6-14/h3-5H,6-7,14H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyKPZGVPWZWMUXSX-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.42
Rot. Bonds5

About 2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide

2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide (PubChem CID 54862720) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide
PubChem CID54862720
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CNC(=O)CN)cc1Cl
InChIInChI=1S/C12H17ClN4O2/c1-17(2)10-4-3-8(5-9(10)13)16-12(19)7-15-11(18)6-14/h3-5H,6-7,14H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyKPZGVPWZWMUXSX-UHFFFAOYSA-N
XLogP0.42
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide
CID 81076197
2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide
CID 79473066
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide
CID 60847975
5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide
CID 107909156
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide
CID 82852474
2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide
CID 54928469
2-amino-N-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]acetamide
CID 54928218
2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide
CID 60848808
2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide
CID 54862641
1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 115437474
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide (CID 54862720) is 2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide is CN(C)c1ccc(NC(=O)CNC(=O)CN)cc1Cl.
What is the InChIKey of 2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide?
The InChIKey is KPZGVPWZWMUXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-17(2)10-4-3-8(5-9(10)13)16-12(19)7-15-11(18)6-14/h3-5H,6-7,14H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide?
2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide has a molecular weight of 284.75 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide is sourced from PubChem (CID 54862720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).