2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide

C8H14ClN3O3 — CID 43566494

IUPAC2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide
SMILESCCNC(=O)CNC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C8H14ClN3O3/c1-3-10-6(13)4-11-8(15)12-7(14)5(2)9/h5H,3-4H2,1-2H3,(H,10,13)(H2,11,12,14,15)
InChIKeyXQFHCWOGQCZSEB-UHFFFAOYSA-N
MW235.67 g/mol
LogP-0.42
Rot. Bonds4

About 2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide

2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide (PubChem CID 43566494) has the molecular formula C8H14ClN3O3 and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide
PubChem CID43566494
Molecular FormulaC8H14ClN3O3
Molecular Weight235.67 g/mol
Exact Mass235.07
IUPAC Name2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide
SMILESCCNC(=O)CNC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C8H14ClN3O3/c1-3-10-6(13)4-11-8(15)12-7(14)5(2)9/h5H,3-4H2,1-2H3,(H,10,13)(H2,11,12,14,15)
InChIKeyXQFHCWOGQCZSEB-UHFFFAOYSA-N
XLogP-0.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide
CID 43311123
2-chloro-N-(3-propoxypropylcarbamoyl)propanamide
CID 82943855
2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 43567045
N-ethyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43401396
5-(2-chloropropanoylcarbamoylamino)pentanamide
CID 106239873
2-chloro-N-(7-methyloctylcarbamoyl)propanamide
CID 114004357
2-chloro-N-(3-ethylpentan-2-ylcarbamoyl)propanamide
CID 63837506
2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid
CID 61478804
3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 106279493
N-ethyl-2-(phosphanylcarbonylamino)acetamide
CID 156853608
ethyl 2-(2-chloropropanoylcarbamoylamino)propanoate
CID 61498837
5-amino-N-[2-(ethylamino)-2-oxoethyl]-2-methylpentanamide
CID 104683686

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide (CID 43566494) is 2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide is CCNC(=O)CNC(=O)NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide?
The InChIKey is XQFHCWOGQCZSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O3/c1-3-10-6(13)4-11-8(15)12-7(14)5(2)9/h5H,3-4H2,1-2H3,(H,10,13)(H2,11,12,14,15).
What are the key properties of 2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide?
2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide has a molecular weight of 235.67 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide is sourced from PubChem (CID 43566494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).