N-[(carbamoylamino)methyl]-2-chloroacetamide

C4H8ClN3O2 — CID 175324438

IUPACN-[(carbamoylamino)methyl]-2-chloroacetamide
SMILESNC(=O)NCNC(=O)CCl
InChIInChI=1S/C4H8ClN3O2/c5-1-3(9)7-2-8-4(6)10/h1-2H2,(H,7,9)(H3,6,8,10)
InChIKeyIEZYTQNPTTUPAX-UHFFFAOYSA-N
MW165.58 g/mol
LogP-1.03
Rot. Bonds3

About N-[(carbamoylamino)methyl]-2-chloroacetamide

N-[(carbamoylamino)methyl]-2-chloroacetamide (PubChem CID 175324438) has the molecular formula C4H8ClN3O2 and a molecular weight of 165.58 g/mol. Its IUPAC name is N-[(carbamoylamino)methyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[(carbamoylamino)methyl]-2-chloroacetamide
PubChem CID175324438
Molecular FormulaC4H8ClN3O2
Molecular Weight165.58 g/mol
Exact Mass165.03
IUPAC NameN-[(carbamoylamino)methyl]-2-chloroacetamide
SMILESNC(=O)NCNC(=O)CCl
InChIInChI=1S/C4H8ClN3O2/c5-1-3(9)7-2-8-4(6)10/h1-2H2,(H,7,9)(H3,6,8,10)
InChIKeyIEZYTQNPTTUPAX-UHFFFAOYSA-N
XLogP-1.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.58
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloroacetyl)amino]acetamide
CID 28605345
N-[2-(carbamoylamino)ethylcarbamoyl]-2-chloroacetamide
CID 83114145
3-chloropropylurea
CID 6421120
2-chloro-N-(iodomethyl)acetamide
CID 89347854
2-[4-[2-[(carbamoylamino)methylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 141094929
N-(2-bromoethyl)-2-chloroacetamide
CID 71407386
2-chloro-N-ethylacetamide;hydrochloride
CID 141251564
4-[(2-chloroacetyl)amino]butyl carbamate
CID 175179769
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
(5-chloro-4-oxopentyl)urea
CID 87337319
2-(carbamoylamino)ethyl 2-chloroacetate
CID 21179128
2-chloro-N-(2,2-difluoroethyl)acetamide
CID 115349396

Frequently Asked Questions

What is the IUPAC name of N-[(carbamoylamino)methyl]-2-chloroacetamide?
The IUPAC name of N-[(carbamoylamino)methyl]-2-chloroacetamide (CID 175324438) is N-[(carbamoylamino)methyl]-2-chloroacetamide.
What is the SMILES notation for N-[(carbamoylamino)methyl]-2-chloroacetamide?
The canonical SMILES for N-[(carbamoylamino)methyl]-2-chloroacetamide is NC(=O)NCNC(=O)CCl.
What is the InChIKey of N-[(carbamoylamino)methyl]-2-chloroacetamide?
The InChIKey is IEZYTQNPTTUPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClN3O2/c5-1-3(9)7-2-8-4(6)10/h1-2H2,(H,7,9)(H3,6,8,10).
What are the key properties of N-[(carbamoylamino)methyl]-2-chloroacetamide?
N-[(carbamoylamino)methyl]-2-chloroacetamide has a molecular weight of 165.58 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(carbamoylamino)methyl]-2-chloroacetamide is sourced from PubChem (CID 175324438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).